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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.67 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.67 |
| ▸ | ADRB2 known ✓ | P07550 | 5/20 | 0.64 |
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.64 |
| ▸ | ADRB3 known ✓ | P13945 | 2/20 | 0.64 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.61 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.61 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.61 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.64 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL7266770 | 0.99 | PTGS1 (0.68) | MAPTPTGS1SLC6A2ADRB2ADRB1 | |
| Flusoxolol SCHEMBL10794705 | 0.89 | ADRB1 (0.67) | MAPTADRB2ADRB1CYP2D6ADRB3 | |
| Flusoxolol SCHEMBL1255311 | 0.88 | ADRB1 (0.68) | ADRB2ADRB1CYP2D6ADRB3NR3C1 | |
| Flusoxolol SCHEMBL10794595 | 0.88 | ADRB1 (0.68) | ADRB2ADRB1CYP2D6ADRB3NR3C1 | |
| Hydrochloric Acid SCHEMBL10791450 | 0.87 | ADRB2 (0.56) | MAPTPTGS1SLC6A2ADRB2ADRB1 | |
| SCHEMBL10791688 | 0.86 | ADRB2 (0.57) | MAPTPTGS1SLC6A2ADRB2ADRB1 | |
| SCHEMBL11667770 | 0.85 | ADRB2 (0.88) | MAPTPTGS1SLC6A2ADRB2ADRB1 | |
| SCHEMBL29358069 | 0.84 | ADRB2 (0.76) | MAPTPTGS1SLC6A2ADRB2ADRB1 | |
| SCHEMBL11576265 | 0.84 | PTGS1 (0.68) | MAPTPTGS1SLC6A2ADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL10791435 | 0.84 | MAPT (0.55) | MAPTPTGS1SLC6A2ADRB2ADRB1 |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5001113-A | Di- or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA | MERCK & CO., INC. (US) | 1991-03-19 | — | — | US | claimed |
| EP-0389127-A1 | Renin-inhibitory di-, tri-, and tetrapeptides | MERCK & CO. INC. (US) | 1990-09-26 | — | — | EP | claimed |
| EP-0347987-A2 | Tripeptide renin inhibitors with N-terminal carbamoyl or acyl groups | MERCK & CO. INC. (US) | 1989-12-27 | — | — | EP | claimed |
| EP-0314239-A2 | Tripeptide renin inhibitors with N-terminal ureido or sulfamido groups | MERCK & CO. INC. (US) | 1989-05-03 | — | — | EP | claimed |
| EP-0312291-A2 | Di-or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312158-A2 | Tetrapeptide renin inhibitors having novel c-terminal amino acid amide | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312283-A2 | Di-or tripeptide renin inhibitors containing lactam conformational restrictions in ACHPA | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312157-A2 | Tetrapeptide renin inhibitors having a novel c-terminal amino acid | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| US-4782043-A | HYPOTENSIVES | MERCK & CO., INC. (US) | 1988-11-01 | — | — | US | claimed |
| EP-0278158-A2 | Renin inhibitors containing phenylalanyl-histidine replacements | MERCK & CO. INC. (US) | 1988-08-17 | — | — | EP | claimed |
| EP-0273696-A2 | Renin inhibitors containing histidine replacements | MERCK & CO. INC. (US) | 1988-07-06 | — | — | EP | claimed |
| EP-0483271-B1 | PEPTIDES CONTAINING DIAMINO-GLYCOLS AS TRANSITION-STATE MIMICS | THE UPJOHN COMPANY (US) | 1993-08-25 | — | — | EP | disclosed |
| EP-0546115-A1 | PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS | THE UPJOHN COMPANY (US) | 1993-06-16 | — | — | EP | disclosed |
| US-5132400-A | PEPTIDES CONTAINING A (1-AMINO-2-HYDROXY-2-HETEROCYCLIC)ETHYL MOIETY | THE UPJOHN COMPANY (US) | 1992-07-21 | — | — | US | disclosed |
| EP-0483271-A1 | PEPTIDES CONTAINING DIAMINO-GLYCOLS AS TRANSITION-STATE MIMICS. | UPJOHN CO (US) | 1992-05-06 | — | — | EP | disclosed |
| US-4668770-A | HYPOTENSIVE, HYPOALDOSTERONISM | MERCK & CO., INC. (US) | 1987-05-26 | — | — | US | disclosed |
| US-4663310-A | TREATING HYPERTENSION AND HYPERALDOSTERONISM | MERCK & CO., INC. (US) | 1987-05-05 | — | — | US | disclosed |
| US-4661473-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1987-04-28 | — | — | US | disclosed |
| US-4636491-A | Renin inhibitory peptides having improved solubility | MERCK & CO., INC. (US) | 1987-01-13 | — | — | US | disclosed |
| EP-0163237-A2 | Di- and tri-peptidal renin inhibitors | MERCK & CO. INC. (US) | 1985-12-04 | — | — | EP | disclosed |