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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 4/20 | 0.50 |
| ▸ | ROCK1 known ✓ | Q13464 | 2/20 | 0.41 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.40 |
| ▸ | LCK known ✓ | P06239 | 1/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 3/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 2/20 | 0.38 |
| ▸ | NMT1 | P30419 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2447452 | 1.00 | HRH1 (0.50) | HRH1IRAK4ROCK1IKBKBHTR1A | |
| SCHEMBL759186 | 0.98 | HRH1 (0.52) | HRH1IRAK4ROCK1IKBKBHTR1A | |
| SCHEMBL7889387 | 0.86 | CHRNB2 (0.54) | IRAK4HTR1ASLC6A2CHRNB2CHRNA4 | |
| SCHEMBL4102786 | 0.86 | CHRNB2 (0.54) | IRAK4HTR1ASLC6A2CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL4107967 | 0.84 | IRAK4 (0.43) | HRH1IRAK4ROCK1IKBKBHTR1A | |
| SCHEMBL28739277 | 0.83 | EPHX2 (0.40) | HRH1IRAK4HTR1AKDM4E | |
| Hydrochloric Acid SCHEMBL2777929 | 0.80 | IRAK4 (0.45) | HRH1IRAK4ROCK1IKBKBHTR1A | |
| Hydrochloric Acid SCHEMBL4711714 | 0.79 | HRH1 (0.42) | HRH1IRAK4ROCK1IKBKBHTR1A | |
| Hydrochloric Acid SCHEMBL14861614 | 0.79 | SLC6A4 (0.39) | HTR1ASLC6A2SLC6A3CHRNB2CHRNA4 | |
| SCHEMBL27859859 | 0.79 | CDK4 (0.41) | KDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1325910-B1 | ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS | MITSUBISHI TANABE PHARMA CORP (JP) | 2008-09-17 | — | — | EP | disclosed |
| US-20070225333-A1 | 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor | BRYANS JUSTIN S | 2007-09-27 | — | — | US | disclosed |
| EP-1742932-A1 | 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR | Pfizer Limited (GB) | 2007-01-17 | — | — | EP | disclosed |
| US-7160877-B2 | Aliphatic nitrogen-containing 5-membered ring compound | TANABE SEIYAKU CO., LTD. (JP) | 2007-01-09 | — | — | US | disclosed |
| WO-2005105779-A1 | 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR | PFIZER LIMITED (GB) | 2005-11-10 | — | — | WO | disclosed |
| US-6849622-B2 | Aliphatic nitrogenous five-membered ring compounds | TANABE SEIYAKU CO., LTD. (JP) | 2005-02-01 | — | — | US | disclosed |
| US-20040229926-A1 | Aliphatic nitrogen - containing 5 - membered ring compound | TANABE SEIYAKU CO., LTD. | 2004-11-18 | — | — | US | disclosed |
| US-20040063935-A1 | Aliphatic nitrogenous five-membered ring compounds | TANABE SEIYAKU CO., LTD. (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1325910-A1 | ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS | TANABE SEIYAKU CO., LTD. (JP) | 2003-07-09 | — | — | EP | 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-20040063935-A1 | Aliphatic nitrogenous five-membered ring compounds | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 | HRH1 29/4885ROCK1 1215/4885HTR1A 355/4885 |
| US-20070225333-A1 | 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor | AVPR2, RXFP3, AVPR1A | HRH1 93/4885ROCK1 3173/4885HTR1A 30/4885 |
| US-20040229926-A1 | Aliphatic nitrogen - containing 5 - membered ring compound | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 | HRH1 29/4885ROCK1 1201/4885HTR1A 307/4885 |
“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.