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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 known ✓ | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.37 |
| ▸ | ANO1 | Q5XXA6 | 3/20 | 0.47 |
| ▸ | S100A9 | P06702 | 11/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14882742 | 0.99 | ANO1 (0.47) | ANO1S100A9POLBACLYNPC1 | |
| Hydrochloric Acid SCHEMBL14876192 | 0.91 | ALDH1A1 (0.51) | ANO1POLBNPC1ALDH1A1HDAC1 | |
| Hydrochloric Acid SCHEMBL14875798 | 0.90 | ANO1 (0.49) | ANO1S100A9POLBNPC1ALDH1A1 | |
| SCHEMBL14882735 | 0.89 | ALDH1A1 (0.52) | ANO1POLBNPC1ALDH1A1HDAC1 | |
| SCHEMBL14882770 | 0.88 | ANO1 (0.50) | ANO1S100A9POLBNPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL14875884 | 0.86 | ANO1 (0.48) | ANO1S100A9POLBNPC1ALDH1A1 | |
| SCHEMBL14882665 | 0.85 | ANO1 (0.49) | ANO1S100A9POLBNPC1ALDH1A1 | |
| SCHEMBL14875894 | 0.84 | HDAC1 (0.56) | POLBALDH1A1HDAC1 | |
| Hydrochloric Acid SCHEMBL14876074 | 0.84 | HDAC1 (0.43) | ANO1POLBNPC1ALDH1A1HDAC1 | |
| SCHEMBL14882674 | 0.82 | HDAC1 (0.44) | ANO1POLBNPC1ALDH1A1HDAC1 |
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-20160376286-A1 | Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease | F. HOFFMAN-LA ROCHE LTD | 2016-12-29 | — | — | US | disclosed |
| US-20160297763-A1 | Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease | F. HOFFMANN-LA ROCHE LTD (CH) | 2016-10-13 | — | — | US | disclosed |
| EP-2794616-B1 | PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | HOFFMANN LA ROCHE (CH) | 2016-06-29 | — | — | EP | disclosed |
| CN-103958475-B | Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases | F. HOFFMANN-LA ROCHE AG (CH) | 2015-11-25 | — | — | CN | disclosed |
| EP-2794616-A1 | PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | F.HOFFMANN-LA ROCHE AG (CH) | 2014-10-29 | — | — | EP | disclosed |
| CN-103958521-A | Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |
| US-20130102601-A1 | Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease | F. HOFFMANN-LA ROCHE LTD (CH) | 2013-04-25 | — | — | US | disclosed |
| US-20130102600-A1 | Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease | F. HOFFMANN-LA ROCHE LTD (CH) | 2013-04-25 | — | — | US | disclosed |
| WO-2013057253-A1 | PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-25 | — | — | 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-20130102601-A1 | Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease | TPMT, TYMP, HPRT1 | HDAC1 2065/4885HDAC3 2822/4885HDAC4 2371/4885 |
| US-20160376286-A1 | Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease | TTR, TYMP, TPMT | HDAC1 2708/4885HDAC3 3180/4885HDAC4 2701/4885 |
| US-20160297763-A1 | Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease | ALAD, CYP27A1, FAH | HDAC1 83/4885HDAC3 146/4885HDAC4 266/4885 |
| US-20130102600-A1 | Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease | FAH, SLC10A1, OAT | HDAC1 58/4885HDAC3 57/4885HDAC4 145/4885 |
“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.