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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 10/20 | 0.64 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.57 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.47 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.46 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.46 |
| ▸ | DDB1 known ✓ | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.44 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.57 |
| ▸ | QDPR | P09417 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29922352 | 0.98 | HTR2C (0.62) | HTR2CSLC18A3SIGMAR1QDPRHTR6 | |
| SCHEMBL2264849 | 0.98 | HTR2C (0.62) | HTR2CSLC18A3SIGMAR1QDPRHTR6 | |
| SCHEMBL19973352 | 0.87 | DRD2 (0.51) | HTR2CSLC18A3SIGMAR1 | |
| SCHEMBL4343580 | 0.87 | DRD2 (0.51) | HTR2CSLC18A3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL25305777 | 0.86 | CYP3A4 (0.48) | HTR2CDDB1CRBN | |
| SCHEMBL273350 | 0.84 | CYP3A4 (0.50) | HTR2CDDB1CRBN | |
| SCHEMBL29411064 | 0.84 | CYP3A4 (0.50) | HTR2CDDB1CRBN | |
| Hydrochloric Acid SCHEMBL4444055 | 0.82 | HDAC4 (0.50) | HTR2CDDB1CRBN | |
| Tert-Butyl Formate SCHEMBL28024457 | 0.81 | HTR2C (0.49) | HTR2CSLC18A3SIGMAR1QDPRHTR6 | |
| SCHEMBL18956824 | 0.80 | HDAC4 (0.47) | HTR2CDDB1CRBN |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9428464-B2 | Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof | CHDI FOUNDATION, INC. (US) | 2016-08-30 | — | — | US | disclosed |
| US-20140329795-A1 | KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI FOUNDATION, INC. | 2014-11-06 | — | — | US | disclosed |
| US-8748432-B2 | Microbiocidal pyrazole derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| EP-2673264-A1 | MICROBIOCIDAL PYRAZOLE DERIVATIVES | Syngenta Participations AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| US-20130324553-A1 | MICROBIOCIDAL PYRAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2013-12-05 | — | — | US | disclosed |
| CN-103402985-A | Microbiocidal pyrazole derivatives | SYNGENTA PARTICIPATIONS AG | 2013-11-20 | — | — | CN | disclosed |
| WO-2012107475-A1 | MICROBIOCIDAL PYRAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-08-16 | — | — | WO | disclosed |
| US-7767674-B2 | Kinase inhibitors | ELI LILLY AND COMPANY (US) | 2010-08-03 | — | — | US | disclosed |
| US-20080306068-A1 | Suppression cytokines, tumor necrosis factor | ELI LILLY AND COMPANY (US) | 2008-12-11 | — | — | US | disclosed |
| EP-1761520-B1 | KINASE INHIBITORS | LILLY CO ELI (US) | 2008-07-09 | — | — | EP | disclosed |
| EP-1761520-A1 | KINASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006009741-A1 | KINASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2006-01-26 | — | — | WO | disclosed |
| EP-1609789-A1 | UREIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004058727-A1 | SUBSTITUTED 3,5-DIHYDRO-4H-IMIDAZOL-4-ONES FOR THE TREATMENT OF OBESITY | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-07-15 | — | — | 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 (3 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-20140329795-A1 | KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | KMO, KYNU, HAAO | HTR2C 99/4885SIGMAR1 2622/4885HTR6 75/4885 |
| US-20130324553-A1 | MICROBIOCIDAL PYRAZOLE DERIVATIVES | MPO, PRF1, CYP51A1 | HTR2C 3307/4885SIGMAR1 1136/4885HTR6 4090/4885 |
| US-20080306068-A1 | Suppression cytokines, tumor necrosis factor | TNF, TNFRSF1A, IL2 | HTR2C 4317/4885SIGMAR1 2985/4885HTR6 4051/4885 |
“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.