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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.34 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL828339 | 0.98 | LTA4H (0.38) | LTA4HKMT2APTGDR2CES2CES1 | |
| Hydrochloric Acid SCHEMBL4463000 | 0.86 | HDAC1 (0.36) | LTA4HKMT2ACES2CES1KDM5A | |
| Hydrochloric Acid SCHEMBL4463015 | 0.86 | PTGDR2 (0.38) | LTA4HKMT2APTGDR2CES2CES1 | |
| Hydrochloric Acid SCHEMBL4466535 | 0.82 | PTGDR2 (0.41) | KMT2APTGDR2KDM5AKDM4CKDM5B | |
| Hydrochloric Acid SCHEMBL829558 | 0.82 | PTGDR2 (0.41) | PTGDR2RAB9APTGS2NR3C2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4469144 | 0.81 | LTA4H (0.53) | LTA4HKMT2ACES2CES1CA1 | |
| SCHEMBL828577 | 0.81 | PTGDR2 (0.41) | PTGDR2RAB9APTGS2NR3C2SMN1; SMN2 | |
| SCHEMBL3111331 | 0.81 | LTA4H (0.38) | LTA4HKMT2APTGDR2CES2CES1 | |
| Hydrochloric Acid SCHEMBL830076 | 0.80 | MAPK14 (0.46) | — | |
| Hydrochloric Acid SCHEMBL4466892 | 0.80 | MAPK14 (0.39) | KDM5AKDM4CKDM5BLOXL2ALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170313661-A1 | KINASE MODULATORS FOR THE TREATMENT OF CANCER | SYNOVO GMBH (DE) | 2017-11-02 | — | — | US | disclosed |
| US-9617221-B2 | Kinase modulators for the treatment of cancer | SYNOVO GMBH (DE) | 2017-04-11 | — | — | US | disclosed |
| US-20130045938-A1 | KINASE MODULATORS FOR THE TREATMENT OF CANCER | SYNOVO GMBH (DE) | 2013-02-21 | — | — | US | disclosed |
| US-8143294-B2 | 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors | BURNET MICHAEL (DE) | 2012-03-27 | — | — | US | disclosed |
| WO-2011100769-A2 | KINASE MODULATORS FOR THE TREATMENT OF CANCER | SYNOVO GMBH (DE) | 2011-08-18 | — | — | WO | disclosed |
| US-20090270462-A1 | 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS | SYNOVO GMBH (DE) | 2009-10-29 | — | — | US | disclosed |
| US-7582660-B2 | 2-thio-substituted imidazole derivatives and their use in pharmaceutics | C-A-I-R BIOSCIENCES GMBH (DE) | 2009-09-01 | — | — | US | disclosed |
| US-20090215766-A1 | TETRACYCLIC INHIBITORS OF JANUS KINASES | INCYTE CORPORATION | 2009-08-27 | — | — | US | disclosed |
| US-20060235054-A1 | 2-Thio-substituted imidazole derivatives and their use in pharmaceutics | MERCKLE-GMBH (DE) | 2006-10-19 | — | — | US | disclosed |
| US-20060106020-A1 | Tetracyclic inhibitors of Janus kinases | INCYTE CORPORATION | 2006-05-18 | — | — | US | disclosed |
| WO-2005105814-A1 | TETRACYCLIC INHIBITORS OF JANUS KINASES | INCYTE CORPORATION (US) | 2005-11-10 | — | — | WO | disclosed |
| EP-1539741-A1 | 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS | MERCKLE GMBH (DE) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004018458-A1 | 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS | MERCKLE-GMBH (DE) | 2004-03-04 | — | — | 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 (6 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-20170313661-A1 | KINASE MODULATORS FOR THE TREATMENT OF CANCER | MAP3K10, MAP3K12, MAP3K20 | CA2 2268/4885PTGS2 591/4885LTA4H 2107/4885 |
| US-20130045938-A1 | KINASE MODULATORS FOR THE TREATMENT OF CANCER | MAP3K10, MAP3K12, MAP3K20 | CA2 2268/4885PTGS2 591/4885LTA4H 2107/4885 |
| US-20090215766-A1 | TETRACYCLIC INHIBITORS OF JANUS KINASES | JAK1, JAK2, JAK3 | CA2 3217/4885PTGS2 1566/4885LTA4H 2479/4885 |
| US-20090270462-A1 | 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS | IL2, IL2RA, IL1B | CA2 1379/4885PTGS2 91/4885LTA4H 482/4885 |
| US-20060235054-A1 | 2-Thio-substituted imidazole derivatives and their use in pharmaceutics | IL2, TPMT, IFNG | CA2 1113/4885PTGS2 28/4885LTA4H 703/4885 |
| US-20060106020-A1 | Tetracyclic inhibitors of Janus kinases | JAK1, JAK2, JAK3 | CA2 3217/4885PTGS2 1566/4885LTA4H 2479/4885 |
“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.