Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.71 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.64 |
| ▸ | MAOA known ✓ | P21397 | 2/20 | 0.61 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.55 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.97 |
| ▸ | MEN1 | O00255 | 4/20 | 0.97 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA7 | P43166 | 1/20 | 0.64 |
| ▸ | CA9 | Q16790 | 1/20 | 0.64 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.64 |
| ▸ | KDM1A | O60341 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | PRCP | P42785 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13804033 | 0.98 | KMT2A (1.00) | KMT2AMEN1GAAALDH1A1LMNA | |
| SCHEMBL14646680 | 0.98 | KMT2A (1.00) | KMT2AMEN1GAAALDH1A1LMNA | |
| SCHEMBL7849270 | 0.98 | KMT2A (1.00) | KMT2AMEN1GAAALDH1A1LMNA | |
| SCHEMBL11718272 | 0.87 | KMT2A (0.79) | KMT2AMEN1GAAALDH1A1LMNA | |
| SCHEMBL11716430 | 0.87 | KMT2A (0.79) | KMT2AMEN1GAAALDH1A1LMNA | |
| SCHEMBL28682324 | 0.85 | KMT2A (0.76) | KMT2AMEN1GAAALDH1A1LMNA | |
| SCHEMBL7850864 | 0.85 | KMT2A (0.76) | KMT2AMEN1GAAALDH1A1LMNA | |
| SCHEMBL12204279 | 0.85 | KMT2A (0.75) | KMT2AMEN1GAAALDH1A1LMNA | |
| SCHEMBL11711099 | 0.84 | KMT2A (0.74) | KMT2AMEN1GAAALDH1A1LMNA | |
| SCHEMBL22728797 | 0.84 | KMT2A (0.74) | KMT2AMEN1GAAALDH1A1LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3147280-B1 | ANTI-ANGIOGENIC COMPOUND | UNIV COLLEGE DUBLIN NAT UNIV IRELAND DUBLIN (IE) | 2018-03-07 | — | — | EP | disclosed |
| EP-3147280-A1 | ANTI-ANGIOGENIC COMPOUND | University College Dublin, National University of Ireland, Dublin (IE) | 2017-03-29 | — | — | EP | disclosed |
| EP-2877454-B1 | ANTI-ANGIOGENIC 2-STYRYL-QUINOLINE COMPOUNDS | UNIV DUBLIN (IE) | 2016-11-02 | — | — | EP | disclosed |
| EP-1322309-B1 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2008-08-13 | — | — | EP | disclosed |
| US-7271270-B2 | High affinity small molecule C5a receptor modulators | NEUROGEN CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |
| US-20070027158-A1 | High affinity small molecule C5a receptor modulators | NEUROGEN CORPORATION | 2007-02-01 | — | — | US | disclosed |
| EP-1353921-B1 | TETRAHYDROPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CELL PROLIFERATION INHIBITORS | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| EP-1487798-A4 | SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2005-07-13 | — | — | EP | disclosed |
| US-6916830-B2 | Substituted tetrahydroisoquinolines as C5a receptor modulators | NEUROGEN CORPORATION (US) | 2005-07-12 | — | — | US | disclosed |
| US-6884815-B1 | High affinity small molecule C5a receptor modulators | NEUROGEN CORPORATION (US) | 2005-04-26 | — | — | US | disclosed |
| US-20040204446-A1 | Nitrogen compounds such as N-(2-Fluoro-benzyl)-N-indan-2-yl-2-(3-methyl-2-o-tolyl-piperidin-1-yl) -acetamide, administered for prophylaxis arthritis, psoriasis, cardiovascular disorders, reperfusion injury or respiratory system disorders | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2004-10-14 | — | — | US | disclosed |
| EP-1322309-A4 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2004-10-13 | — | — | EP | disclosed |
| US-6800638-B2 | Tetrahydropyridine derivatives, their preparation and their use as cell proliferation inhibitors | HOFFMAN-LA ROCHE INC. | 2004-10-05 | — | — | US | disclosed |
| US-6777422-B2 | FOR TREATING A VARIETY OF INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NEUROGEN CORP. | 2004-08-17 | — | — | US | disclosed |
| US-6723743-B1 | TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS | NEUROGEN CORPORATION | 2004-04-20 | — | — | US | disclosed |
| US-20040053960-A1 | Tetrahydropyridine derivatives, their preparation and their use as cell proliferation inhibitors | HOFFMANN-LA ROCHE INC. | 2004-03-18 | — | — | US | disclosed |
| US-20040006069-A1 | Substituted tetrahydroisoquinolines as C5a receptor modulators | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2004-01-08 | — | — | US | disclosed |
| WO-2003082828-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2003-10-09 | — | — | WO | disclosed |
| EP-1322309-A2 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | Neurogen Corporation (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002049993-A2 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2002-06-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070027158-A1 | High affinity small molecule C5a receptor modulators | C3AR1, C5AR1, C5AR2 | GAA 4835/4885CA2 3773/4885MAOA 675/4885 |
| US-20040053960-A1 | Tetrahydropyridine derivatives, their preparation and their use as cell proliferation inhibitors | HDAC1, HDAC2, HDAC11 | GAA 1894/4885CA2 1456/4885MAOA 1748/4885 |
| US-20040006069-A1 | Substituted tetrahydroisoquinolines as C5a receptor modulators | C5AR1, C3AR1, C5AR2 | GAA 4731/4885CA2 4692/4885MAOA 856/4885 |
| US-20040204446-A1 | Nitrogen compounds such as N-(2-Fluoro-benzyl)-N-indan-2-yl-2-(3-methyl-2-o-tolyl-piperidin-1-yl) -acetamide, administered for prophylaxis arthritis, psoriasis, cardiovascular disorders, reperfusion injury or respiratory system disorders | C5AR1, C3AR1, C5AR2 | GAA 4746/4885CA2 3577/4885MAOA 546/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.