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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | PAOX | Q6QHF9 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL593928 | 1.00 | EPHX1 (0.52) | EPHX1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL7639464 | 0.97 | EPHX1 (0.55) | EPHX1LMNAMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL5110115 | 0.97 | — | — | |
| SCHEMBL1309714 | 0.97 | — | — | |
| SCHEMBL9801180 | 0.97 | EPHX1 (0.55) | EPHX1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL19574718 | 0.97 | EPHX1 (0.55) | EPHX1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL9801057 | 0.97 | EPHX1 (0.55) | EPHX1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL1924117 | 0.97 | EPHX1 (0.55) | EPHX1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL7637097 | 0.97 | EPHX1 (0.55) | EPHX1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL7638521 | 0.97 | EPHX1 (0.55) | EPHX1LMNAMEN1KMT2AALDH1A1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101108809-B | 1- (alkylaminoalkyl-pyrrolidine-/piperidinyl) -2, 2-diphenylacetamide derivatives as muscarinic receptor antagonists | THERAVANCE INC | 2010-07-14 | — | — | CN | disclosed |
| US-7638639-B2 | Substituted pyrrolidine and related compounds | THERAVANCE, INC. (US) | 2009-12-29 | — | — | US | disclosed |
| US-7615566-B2 | Substituted pyrrolidine and related compounds | THERAVANCE, INC. (US) | 2009-11-10 | — | — | US | disclosed |
| US-7524880-B2 | Crystalline form of a substituted pyrrolidine compound | THERAVANCE, INC. (US) | 2009-04-28 | — | — | US | disclosed |
| CN-100406435-C | 1- (alkylaminoalkyl-pyrrolidine-/piperidinyl) -2, 2-diphenylacetamide derivatives as muscarinic receptor antagonists | THERAVANCE INC (US) | 2008-07-30 | — | — | CN | disclosed |
| US-20080161577-A1 | Substituted pyrrolidine and related compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-07-03 | — | — | US | disclosed |
| US-20080146649-A1 | Substituted pyrrolidine and related compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-06-19 | — | — | US | disclosed |
| US-7351718-B2 | Substituted pyrrolidine and related compounds | THERAVANCE, INC. (US) | 2008-04-01 | — | — | US | disclosed |
| US-7351717-B2 | Substituted pyrrolidine and related compounds | THERAVANCE, INC. (US) | 2008-04-01 | — | — | US | disclosed |
| CN-101108809-A | 1- (alkylaminoalkyl-pyrrolidine-/piperidinyl) -2, 2-diphenylacetamide derivatives as muscarinic receptor antagonists | THERAVANCE INC (US) | 2008-01-23 | — | — | CN | disclosed |
| US-20070135482-A1 | Substituted pyrrolidine and related compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2007-06-14 | — | — | US | disclosed |
| US-20070078163-A1 | Substituted pyrrolidine and related compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2007-04-05 | — | — | US | disclosed |
| US-7183292-B2 | Substituted pyrrolidine and related compounds | THERAVANCE, INC. (US) | 2007-02-27 | — | — | US | disclosed |
| CN-1805927-A | 1- (alkylaminoalkyl-pyrrolidine-/piperidinyl) -2, 2-diphenylacetamide derivatives as muscarinic receptor antagonists | THERAVANCE INC (US) | 2006-07-19 | — | — | CN | disclosed |
| EP-1633707-A1 | 1- (ALKYLAMINOALKYL-PYROLIDIN-/PIPERIDINYL) -2, 2-DIPHENYLACETAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-03-15 | — | — | EP | disclosed |
| WO-2005123670-A2 | CRYSTALLINE FORM OF A SUBSTITUTED PYRROLIDINE COMPOUND | THERAVANCE, INC. (US) | 2005-12-29 | — | — | WO | disclosed |
| US-20050277688-A1 | Crystalline form of a substituted pyrrolidine compound | THERAVANCE, INC. | 2005-12-15 | — | — | US | disclosed |
| WO-2005003090-A1 | 1- (ALKYLAMINOALKYL-PYROLIDIN-/PIPERIDINYL) -2, 2-DIPHENYLACETAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2005-01-13 | — | — | WO | disclosed |
| US-20040254219-A1 | Substituted pyrrolidine and related compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-12-16 | — | — | 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-20070135482-A1 | Substituted pyrrolidine and related compounds | CHRM1, CHRM5, CHRM2 | CA2 2281/4885SIGMAR1 264/4885EPHX1 1152/4885 |
| US-20050277688-A1 | Crystalline form of a substituted pyrrolidine compound | PKD2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PKD1 | CA2 32/4885SIGMAR1 1865/4885EPHX1 4158/4885 |
| US-20080161577-A1 | Substituted pyrrolidine and related compounds | CHRM1, CHRM5, CHRM2 | CA2 2281/4885SIGMAR1 264/4885EPHX1 1152/4885 |
| US-20040254219-A1 | Substituted pyrrolidine and related compounds | CHRM1, CHRM5, ADRA1D | CA2 1806/4885SIGMAR1 151/4885EPHX1 835/4885 |
| US-20080146649-A1 | Substituted pyrrolidine and related compounds | CHRM1, CHRM5, CHRM2 | CA2 2281/4885SIGMAR1 264/4885EPHX1 1152/4885 |
| US-20070078163-A1 | Substituted pyrrolidine and related compounds | CHRM1, CHRM5, CHRM2 | CA2 2281/4885SIGMAR1 264/4885EPHX1 1152/4885 |
“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.