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 | |
|---|---|---|---|---|
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.34 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.31 |
| ▸ | PRKD3 known ✓ | O94806 | 1/20 | 0.31 |
| ▸ | PRKCD known ✓ | Q05655 | 1/20 | 0.31 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 2/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 2/20 | 0.31 |
| ▸ | CHUK | O15111 | 1/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
| ▸ | RPS6KA5 | O75582 | 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 | |
|---|---|---|---|---|
| SCHEMBL30150621 | 0.98 | KDM4E (0.42) | KDM4ETP53MAPK1RAB9ATAAR1 | |
| SCHEMBL20173461 | 0.98 | KDM4E (0.42) | KDM4ETP53MAPK1RAB9ATAAR1 | |
| Hydrochloric Acid SCHEMBL20163573 | 0.91 | HTR1B (0.36) | KDM4EMAPK1RAB9AHTR1BCYP3A4 | |
| SCHEMBL20173483 | 0.89 | HTR1B (0.37) | KDM4EMAPK1RAB9AHTR1BCYP3A4 | |
| SCHEMBL13420116 | 0.82 | APP (0.40) | APPMAPTSNCA | |
| SCHEMBL461500 | 0.78 | GABRP (0.41) | KDM4ETP53MAPK1RAB9ASMN1; SMN2 | |
| SCHEMBL20190927 | 0.78 | HRH3 (0.31) | MAPT | |
| SCHEMBL13420133 | 0.78 | PIK3CD (0.42) | SMN1; SMN2CYP3A4IDO1APPMAPT | |
| SCHEMBL10187966 | 0.77 | PIK3CD (0.43) | PIM1APPMAPTSNCA | |
| SCHEMBL16809049 | 0.77 | NPC1 (0.43) | KDM4EMAPK1RAB9ASMN1; SMN2LTA4H |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200255415-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2020-08-13 | — | — | US | disclosed |
| US-20190337921-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2019-11-07 | — | — | US | disclosed |
| EP-3544974-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER | Eisai R&D Management Co., Ltd. (JP) | 2019-10-02 | — | — | EP | disclosed |
| EP-3544956-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | Eisai R&D Management Co., Ltd. (JP) | 2019-10-02 | — | — | EP | disclosed |
| CN-110300751-A | Tetra-substituted alkene compounds and their use for treating breast cancer | 卫材 R&D 管理有限公司 | 2019-10-01 | — | — | CN | disclosed |
| WO-2018098251-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2018-05-31 | — | — | WO | disclosed |
| WO-2018098305-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2018-05-31 | — | — | WO | disclosed |
| US-20180141913-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2018-05-24 | — | — | 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-20180141913-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | BRCA1, ESR2, ESR1 | HTR1B 3848/4885ROCK2 4128/4885PRKD3 1523/4885 |
| US-20190337921-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | BRCA1, ESR2, ESR1 | HTR1B 3848/4885ROCK2 4128/4885PRKD3 1523/4885 |
| US-20200255415-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER | BRCA1, ESR2, ESR1 | HTR1B 3549/4885ROCK2 4242/4885PRKD3 1840/4885 |
“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.