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 | |
|---|---|---|---|---|
| ▸ | KCNA2 known ✓ | P16389 | 2/20 | 0.49 |
| ▸ | MAOA known ✓ | P21397 | 2/20 | 0.45 |
| ▸ | PDE4A known ✓ | P27815 | 2/20 | 0.45 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.45 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.45 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.41 |
| ▸ | KCNA3 known ✓ | P22001 | 1/20 | 0.39 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.62 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5346577 | 0.99 | CYP3A4 (0.64) | CYP3A4KDM4ECYP1A2CYP1A1CYP1B1 | |
| SCHEMBL6197038 | 0.88 | CYP3A4 (0.66) | CYP3A4KDM4ECYP1A2CYP1A1CYP1B1 | |
| SCHEMBL7523608 | 0.84 | CYP3A4 (0.54) | CYP3A4KDM4ECYP1A2CYP1A1CYP1B1 | |
| SCHEMBL2383938 | 0.84 | CYP3A4 (0.74) | CYP3A4KDM4ECYP1A2CYP1A1CYP1B1 | |
| SCHEMBL6200404 | 0.81 | CYP3A4 (0.74) | CYP3A4KDM4ECYP1A2CYP1A1CYP1B1 | |
| SCHEMBL5960652 | 0.79 | CYP3A4 (0.74) | CYP3A4KDM4ECYP1A2CYP1A1CYP1B1 | |
| Isopimpinellin SCHEMBL498907 | 0.78 | CYP3A4 (1.00) | CYP3A4KDM4ECYP1A2CYP1A1CYP1B1 | |
| Isopimpinellin SCHEMBL29568822 | 0.78 | CYP3A4 (1.00) | CYP3A4KDM4ECYP1A2CYP1A1CYP1B1 | |
| SCHEMBL20278781 | 0.74 | CYP3A4 (0.80) | CYP3A4KDM4ECYP1A2CYP1A1CYP1B1 | |
| SCHEMBL4187228 | 0.74 | CYP3A4 (0.80) | CYP3A4KDM4ECYP1A2CYP1A1CYP1B1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804074-B1 | TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS | CERUS CORP (US) | 2005-01-19 | — | — | EP | disclosed |
| US-20020182581-A1 | Treating blood or blood products with compounds which have a mustard, aziridinium or aziridine group and a nucleic acid binding group | CERUS CORPORATION (US) | 2002-12-05 | — | — | US | disclosed |
| US-6410219-B1 | DECTIONN OF PATHOGEN DEACTION OF PATHOGEN BY COMPLEXING | CERUS CORPORATION | 2002-06-25 | — | — | US | disclosed |
| US-6177441-B1 | DEACTIVATING PATHOGEN IN BLOOD | CERUS CORPORATION | 2001-01-23 | — | — | US | disclosed |
| US-6171777-B1 | DECONTAMINATING BY CONTACTING WITH COMPOUND, THEN RECOVERING PRODUCT; DEACTIVATES HUMAN IMMUNODEFICIENCY AND HEPATITIS VIRUSES; BEFORE TRANSFUSIONS OR CLINICAL TESTS | CERUS CORPORATION | 2001-01-09 | — | — | US | disclosed |
| US-6143490-A | IN VITRO METHOD FOR DEACTIVATION OF VIRAL, BACTERIAL, OR PROTOZOAN PATHOGEN BY ADDING COMPOUND CONSISTING OF INTERCALATOR NUCLEIC ACID BINDING LIGAND AND AN ATTACHED MUSTARD GROUP, TREATING THE MIXTURE, AND RECOVERING BLOOD | CERUS CORPORATION (US) | 2000-11-07 | — | — | US | disclosed |
| EP-0804074-A4 | TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS | CERUS CORP (US) | 1999-12-08 | — | — | EP | disclosed |
| EP-0773716-A4 | TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS | CERUS CORP (US) | 1999-08-04 | — | — | EP | disclosed |
| US-5691132-A | MIXING BLOOD WITH N,N-BIS(2-CHLOROETHYL)-N-(6-CHLORO-2-METHOXY-9-ACRIDINYL) 1,4-PENTANEDIAMINE | CERUS CORPORATION (US) | 1997-11-25 | — | — | US | disclosed |
| EP-0804074-A1 | TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS | Cerus Corporation (US) | 1997-11-05 | — | — | EP | disclosed |
| EP-0773716-A1 | TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS | Cerus Corporation (US) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996039818-A1 | TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS | CERUS CORPORATION (US) | 1996-12-19 | — | — | WO | disclosed |
| US-5559250-A | 5-/N,N-BIS/2-CHLOROETHYL/AMINO/METHYL-8-METHOXYPSORALEN | STERITECH, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| WO-1996014737-A1 | TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS | CERUS CORPORATION (US) | 1996-05-23 | — | — | 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 (1 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-20020182581-A1 | Treating blood or blood products with compounds which have a mustard, aziridinium or aziridine group and a nucleic acid binding group | ADAR, CD99, AAAS | KCNA2 4875/4885MAOA 3813/4885PDE4A 2496/4885 |
“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.