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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.55 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.55 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.56 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | NPFFR1 | Q9GZQ6 | 2/20 | 0.53 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CCR3 | P51677 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2524338 | 0.98 | CYP2D6 (0.57) | POLBCYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL484761 | 0.92 | NPFFR1 (0.53) | POLBCYP2D6OPRL1CHRM2CHRM3 | |
| Hydrochloric Acid SCHEMBL5766139 | 0.84 | POLB (0.55) | POLBCYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL4023771 | 0.84 | OPRL1 (0.59) | POLBCYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL16579978 | 0.83 | CYP2D6 (0.55) | POLBCYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL6783749 | 0.83 | OPRL1 (0.58) | POLBCYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL4535659 | 0.82 | CYP2D6 (0.45) | POLBCYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL2206046 | 0.80 | SIGMAR1 (0.59) | POLBCYP2D6CYP3A4SIGMAR1ALDH1A1 | |
| SCHEMBL18123311 | 0.80 | POLB (0.65) | POLBCYP2D6OPRL1CYP3A4HSD17B10 | |
| SCHEMBL6747729 | 0.79 | CYP2D6 (0.51) | POLBCYP2D6OPRL1CHRM2CHRM3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7544694-B2 | Substituted diaza-spiro-[5.5]-undecane derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-06-09 | — | — | US | disclosed |
| EP-1735312-B1 | SUBSTITUTED DIAZA-SPIRO-[5.5 -UNDECANE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2008-12-10 | — | — | EP | disclosed |
| US-20070232636-A1 | Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-10-04 | — | — | US | disclosed |
| EP-0854869-B1 | SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION | LILLY CO ELI (US) | 2004-08-25 | — | — | EP | disclosed |
| US-6693109-B2 | SUCH AS ETHYL(3-(4-(AMINOIMINOMETHYL)PHENYL)-1-OXA-2,8-DIAZA-SPIRO(4.5)DEC-2-EN-8 -YL)ACETATE | ELI LILLY AND COMPANY | 2004-02-17 | — | — | US | disclosed |
| US-20030171373-A1 | Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation | FISHER MATTHEW J (US) | 2003-09-11 | — | — | US | disclosed |
| US-6528534-B2 | Useful as glycoprotein IIb/IIIa antagonists for prophylaxis thrombosis, therapy of atheroschlerosis, arterioschlerosis, acute myocardial infarction, chronic stable angina, unstable angina, transient ischemic attacks and strokes | MILLENNIUM PHARMACEUTICALS, INC. | 2003-03-04 | — | — | US | disclosed |
| US-20020013325-A1 | Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation | FISHER MATTHEW J (US) | 2002-01-31 | — | — | US | disclosed |
| US-6291469-B1 | Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation | ELI LILLY AND COMPANY | 2001-09-18 | — | — | US | disclosed |
| EP-0854869-A1 | SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION | ELI LILLY AND COMPANY (US) | 1998-07-29 | — | — | EP | disclosed |
| WO-1997011940-A1 | SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION | ELI LILLY AND COMPANY (US) | 1997-04-03 | — | — | 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-20070232636-A1 | Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists | NPSR1, PROKR2, KISS1R | CHRM2 378/4885CHRM3 432/4885SIGMAR1 728/4885 |
| US-20030171373-A1 | Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation | PF4, PFKP, SELP | CHRM2 4836/4885CHRM3 4690/4885SIGMAR1 4236/4885 |
| US-20020013325-A1 | Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation | PF4, PFKP, SELP | CHRM2 4836/4885CHRM3 4690/4885SIGMAR1 4236/4885 |
“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.