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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.33 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.33 |
| ▸ | BCHE known ✓ | P06276 | 2/20 | 0.32 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.32 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.31 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | QPCT | Q16769 | 1/20 | 0.31 |
| ▸ | ACP1 | P24666 | 1/20 | 0.31 |
| ▸ | BRS3 | P32247 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13137129 | 0.99 | SIGMAR1 (0.34) | SIGMAR1PIK3CAMTORGSK3ABCHE | |
| SCHEMBL13137152 | 0.89 | HDAC6 (0.37) | PIK3CAMTORGSK3AHRH4QPCT | |
| Hydrochloric Acid SCHEMBL3053421 | 0.89 | CDK9 (0.35) | SIGMAR1PIK3CAMTORGSK3ABCHE | |
| SCHEMBL13137154 | 0.87 | CSNK2A2 (0.39) | SIGMAR1PIK3CAMTORGSK3ABCHE | |
| SCHEMBL13137134 | 0.87 | ALOX5AP (0.36) | SIGMAR1PIK3CAMTORGSK3ABCHE | |
| SCHEMBL13137049 | 0.85 | SIGMAR1 (0.37) | SIGMAR1PIK3CAMTORGSK3ABCHE | |
| SCHEMBL13137178 | 0.85 | PIK3CA (0.35) | PIK3CAMTORGSK3ABCHEHRH4 | |
| Hydrochloric Acid SCHEMBL3044557 | 0.84 | SLC2A1 (0.41) | SIGMAR1PIK3CAMTORGSK3ABCHE | |
| Hydrochloric Acid SCHEMBL3051527 | 0.83 | BCHE (0.36) | SIGMAR1PIK3CAMTORGSK3ABCHE | |
| Hydrochloric Acid SCHEMBL3044453 | 0.83 | HTR5A (0.41) | SIGMAR1PIK3CAMTORGSK3ABCHE |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION | 2010-09-02 | — | — | US | disclosed |
| US-7772278-B2 | Nitrosated and nitrosylated prostaglandins, compositions and methods of use | NITROMED, INC. (US) | 2010-08-10 | — | — | US | disclosed |
| US-20090088366-A1 | NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2009-04-02 | — | — | US | disclosed |
| US-7449595-B2 | for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing cerebrovascular disorders, cardiovascular disorders, benign prostatic hyperplasia (BPH), glaucoma, peptic ulcers or for inducing abortions | NITROMED, INC. (US) | 2008-11-11 | — | — | US | disclosed |
| US-20070112067-A1 | Nitrosated and nitrosylated prostaglandins, compositions and methods of use | NITROMED, INC. (US) | 2007-05-17 | — | — | US | disclosed |
| US-7176238-B1 | Nitrostated and nitrosylated prostaglandins, compositions and methods of use | NITROMED INC. (US) | 2007-02-13 | — | — | 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 (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-20090088366-A1 | NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE | PTGIS, PGF, PTGS1 | SIGMAR1 2295/4885PIK3CA 4051/4885BCHE 2437/4885 |
| US-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | OPRL1, OPRM1, OPRK1 | SIGMAR1 15/4885PIK3CA 4064/4885BCHE 2700/4885 |
| US-20070112067-A1 | Nitrosated and nitrosylated prostaglandins, compositions and methods of use | PTGIS, PGF, PTGS1 | SIGMAR1 2295/4885PIK3CA 4051/4885BCHE 2437/4885 |
“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.