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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.51 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.62 |
| ▸ | CHKA | P35790 | 1/20 | 0.58 |
| ▸ | F10 | P00742 | 6/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | NCF1 | P14598 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | STAT1 | P42224 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4229148 | 0.98 | CHEK1 (0.63) | CHEK1CHKAF10KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL1222378 | 0.93 | CHEK1 (0.68) | CHEK1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL63450 | 0.92 | CHEK1 (0.70) | CHEK1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL20193318 | 0.88 | KDM4E (0.65) | CHEK1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL22442320 | 0.86 | KDM4E (0.67) | CHEK1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL3822792 | 0.84 | CHEK1 (0.63) | CHEK1CHKAF10KDM4ENPC1 | |
| Trifluoroacetic Acid SCHEMBL27763631 | 0.83 | CHEK1 (0.60) | CHEK1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL419882 | 0.82 | ALDH1A1 (0.69) | KDM4ENPC1RAB9ALMNATP53 | |
| SCHEMBL23610369 | 0.82 | KDM4E (0.71) | CHEK1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL17737082 | 0.82 | KDM4E (0.71) | CHEK1KDM4ENPC1RAB9ALMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE43481-E1 | Diazepan derivatives or salts thereof | ASTELLAS PHARMA INC. (JP) | 2012-06-19 | — | — | US | disclosed |
| US-7307074-B2 | Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration | ASTELLAS PHARMA INC. (JP) | 2007-12-11 | — | — | US | disclosed |
| EP-1415990-B1 | Diazepan derivatives useful as factor X inhibitor | ASTELLAS PHARMA INC (JP) | 2006-09-20 | — | — | EP | disclosed |
| EP-1273575-B1 | DIAZEPANE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMA CO LTD (JP) | 2004-05-19 | — | — | EP | disclosed |
| EP-1415990-A1 | Diazepan derivatives useful as factor X inhibitor | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2004-05-06 | — | — | EP | disclosed |
| US-20040068109-A1 | Diazepan derivatives or salts thereof | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2004-04-08 | — | — | US | disclosed |
| US-6642224-B1 | Diazepan derivatives or salts thereof | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2003-11-04 | — | — | US | disclosed |
| US-20030195193-A1 | Diazepane derivatives or salts thereof | ASTELLAS PHARMA INC. (JP) | 2003-10-16 | — | — | US | disclosed |
| EP-1273575-A1 | DIAZEPANE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2003-01-08 | — | — | EP | 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 (2 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-20030195193-A1 | Diazepane derivatives or salts thereof | F10, F11, SERPINC1 | HDAC3 42/4885HDAC8 137/4885CHEK1 4075/4885 |
| US-20040068109-A1 | Diazepan derivatives or salts thereof | F10, SERPINC1, F11 | HDAC3 42/4885HDAC8 175/4885CHEK1 4104/4885 |
“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.