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 | |
|---|---|---|---|---|
| ▸ | ROCK1 known ✓ | Q13464 | 5/20 | 0.49 |
| ▸ | LCK known ✓ | P06239 | 2/20 | 0.49 |
| ▸ | ROCK2 known ✓ | O75116 | 2/20 | 0.48 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.43 |
| ▸ | PRKCZ known ✓ | Q05513 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 6/20 | 0.53 |
| ▸ | CHUK | O15111 | 5/20 | 0.53 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.48 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 4/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8271735 | 0.98 | IKBKB (0.55) | IKBKBCHUKROCK1LCKROCK2 | |
| SCHEMBL14239774 | 0.93 | IKBKB (0.50) | IKBKBCHUKROCK1LCKROCK2 | |
| Hydrochloric Acid SCHEMBL70622 | 0.88 | IKBKB (0.53) | IKBKBCHUKROCK1LCKROCK2 | |
| SCHEMBL25584602 | 0.87 | IKBKB (0.40) | IKBKBCHUKROCK1LCKROCK2 | |
| SCHEMBL23021685 | 0.86 | IKBKB (0.55) | IKBKBCHUKROCK1LCKROCK2 | |
| SCHEMBL25584605 | 0.83 | MKNK1 (0.41) | IKBKBCHUKROCK1ROCK2CDC42BPB | |
| Hydrochloric Acid SCHEMBL30684804 | 0.81 | IKBKB (0.53) | IKBKBCHUKROCK1LCKROCK2 | |
| Hydrochloric Acid SCHEMBL29115895 | 0.81 | IKBKB (0.53) | IKBKBCHUKROCK1LCKROCK2 | |
| Hydrochloric Acid SCHEMBL2505884 | 0.80 | IKBKB (0.70) | IKBKBCHUKROCK1LCKMKNK1 | |
| SCHEMBL15791316 | 0.79 | IKBKB (0.55) | IKBKBCHUKROCK1LCKROCK2 |
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-10150752-B2 | Substituted triazole derivatives as oxytocin antagonists | IXCHELSIS LIMITED (GB) | 2018-12-11 | — | — | US | disclosed |
| US-20170114040-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2017-04-27 | — | — | US | disclosed |
| US-9394278-B2 | Substituted triazole derivatives as oxytocin antagonists | IXCHELSIS LIMITED (GB) | 2016-07-19 | — | — | US | disclosed |
| US-20150322042-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2015-11-12 | — | — | US | disclosed |
| US-9023872-B2 | Substituted triazole derivatives as oxytocin antagonists | IXCHELSIS LIMITED (GB) | 2015-05-05 | — | — | US | disclosed |
| US-20130137671-A1 | Substituted Triazole Derivatives As Oxytocin Antagonists | PFIZER INC. | 2013-05-30 | — | — | US | disclosed |
| US-8207198-B2 | Substituted triazole derivatives as oxytocin antagonists | PFIZER INC. (US) | 2012-06-26 | — | — | US | disclosed |
| EP-1841758-B1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LTD (GB) | 2009-11-18 | — | — | EP | disclosed |
| US-20090253674-A1 | Substituted Triazole Derivatives As Oxytocin Antagonists | PFIZER INC | 2009-10-08 | — | — | US | disclosed |
| US-7557131-B2 | Substituted triazole derivatives as oxytocin antagonists | PFIZER INC (US) | 2009-07-07 | — | — | US | disclosed |
| EP-1841758-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | Pfizer Limited (GB) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006077496-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| US-20060160786-A1 | Substituted triazole derivatives as oxytocin antagonists | PFIZER INC | 2006-07-20 | — | — | US | 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-20130137671-A1 | Substituted Triazole Derivatives As Oxytocin Antagonists | OXTR, AVPR1B, GNRHR | ROCK1 1806/4885LCK 2598/4885ROCK2 2605/4885 |
| US-20170114040-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | OXTR, AVPR1B, GNRHR | ROCK1 1806/4885LCK 2598/4885ROCK2 2605/4885 |
| US-20150322042-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | OXTR, AVPR1B, GNRHR | ROCK1 1806/4885LCK 2598/4885ROCK2 2605/4885 |
| US-20060160786-A1 | Substituted triazole derivatives as oxytocin antagonists | OXTR, AVPR1B, GNRHR | ROCK1 1806/4885LCK 2598/4885ROCK2 2605/4885 |
| US-20090253674-A1 | Substituted Triazole Derivatives As Oxytocin Antagonists | OXTR, AVPR1B, GNRHR | ROCK1 1806/4885LCK 2598/4885ROCK2 2605/4885 |
| US-10150752-B2 | Substituted triazole derivatives as oxytocin antagonists | OXTR, AVPR1B, GNRHR | ROCK1 1806/4885LCK 2598/4885ROCK2 2605/4885 |
“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.