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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.52 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.52 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.52 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.52 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.52 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.52 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.52 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.52 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.52 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.49 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.49 |
| ▸ | CASR known ✓ | P41180 | 1/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | FBP1 | P09467 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL76778 | 0.98 | ALDH1A1 (0.54) | ALDH1A1FBP1TDP1HSD17B10ADRA2A | |
| SCHEMBL10668295 | 0.95 | ALDH1A1 (0.52) | ALDH1A1FBP1TDP1HSD17B10ADRA2A | |
| SCHEMBL6247403 | 0.90 | CASR (0.45) | ALDH1A1FBP1TDP1HSD17B10ADRA2A | |
| Chlorobenzene SCHEMBL28283079 | 0.90 | FBP1 (0.56) | ALDH1A1FBP1TDP1HSD17B10ADRA2A | |
| SCHEMBL27609987 | 0.90 | FBP1 (0.47) | ALDH1A1FBP1TDP1HSD17B10ADRA2A | |
| SCHEMBL27462536 | 0.90 | FBP1 (0.47) | ALDH1A1FBP1TDP1HSD17B10ADRA2A | |
| SCHEMBL28283078 | 0.88 | RAB9A (0.51) | ALDH1A1FBP1TDP1HSD17B10ADRA2A | |
| SCHEMBL30066934 | 0.81 | FBP1 (0.40) | ALDH1A1FBP1TDP1HSD17B10ADRA2A | |
| Oxazole SCHEMBL28355211 | 0.80 | NPC1 (0.42) | ALDH1A1FBP1TDP1HSD17B10ADRA2A | |
| SCHEMBL8971386 | 0.78 | SMN1; SMN2 (0.49) | ALDH1A1FBP1TDP1HSD17B10HPGD |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2196454-B1 | EXO-AND DIASTEREO-SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | MERCK SHARP & DOHME (US) | 2014-08-27 | — | — | EP | disclosed |
| US-8618314-B2 | Exo- and diastereo-selective synthesis of himbacine analogs | MERCK SHARP & DOHME CORP. (US) | 2013-12-31 | — | — | US | disclosed |
| EP-2196468-B1 | Exo-and diastereo-selective syntheses of himbacine analogs | MERCK SHARP & DOHME (US) | 2013-04-10 | — | — | EP | disclosed |
| US-20120296093-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | TOPROL ACQUISITION LLC | 2012-11-22 | — | — | US | disclosed |
| US-8258319-B2 | Exo- and diastereo- selective synthesis of himbacine analogs | SCHERING CORPORATION (US) | 2012-09-04 | — | — | US | disclosed |
| EP-2206697-B1 | Exo- and diastereo-selective syntheses of himbacine analogs | SCHERING CORP (US) | 2011-10-26 | — | — | EP | disclosed |
| US-20110251392-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | TOPROL ACQUISITION LLC | 2011-10-13 | — | — | US | disclosed |
| US-7989653-B2 | Exo- and diastereo-selective syntheses of himbacine analogs | SCHERING CORPORATION (US) | 2011-08-02 | — | — | US | disclosed |
| EP-2206697-A1 | Exo- and diastereo-selective syntheses of himbacine analogs | SCHERING CORPORATION (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-2196468-A1 | Exo-and diastereo-selective syntheses of himbacine analogs | SCHERING CORPORATION (US) | 2010-06-16 | — | — | EP | disclosed |
| EP-2196454-A2 | Exo-and diastereo-selective syntheses of himbacine analogs | SCHERING CORPORATION (US) | 2010-06-16 | — | — | EP | disclosed |
| EP-1848705-B1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORP (US) | 2010-02-24 | — | — | EP | disclosed |
| US-20090281321-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION | 2009-11-12 | — | — | US | disclosed |
| US-7605275-B2 | Cyclization of 1-(1-(diphenylaminocarbonyl-vinyl-)ethyl-oxycarbonyl-vinyl-),5-nitro-)cyclohex-1-ene by heating in a solvent to form an trans-(5,6)ring junction and an endoisomer(cis) isomer of 3-(oxo),6-(nitro),9-diphenylamido-perhydro-4,4a-didehydronaphtho(2,3)furan | SCHERING CORPORATION (US) | 2009-10-20 | — | — | US | disclosed |
| EP-1848705-A2 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION (US) | 2007-10-31 | — | — | EP | disclosed |
| US-20060247450-A1 | Exo- and diastereo- selective syntheses of himbacine analogs | SCHERING CORPORATION | 2006-11-02 | — | — | US | disclosed |
| WO-2006076415-A2 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION (US) | 2006-07-20 | — | — | 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 (4 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-20110251392-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | EDNRA, EDNRB, NMBR | ADRA2A 88/4885DRD2 767/4885ADRA2B 50/4885 |
| US-20060247450-A1 | Exo- and diastereo- selective syntheses of himbacine analogs | EDNRA, EDNRB, NMBR | ADRA2A 78/4885DRD2 845/4885ADRA2B 43/4885 |
| US-20120296093-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | EDNRA, EDNRB, NMBR | ADRA2A 88/4885DRD2 767/4885ADRA2B 50/4885 |
| US-20090281321-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | EDNRA, EDNRB, NMBR | ADRA2A 78/4885DRD2 845/4885ADRA2B 43/4885 |
“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.