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 | |
|---|---|---|---|---|
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.41 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11045262 | 0.98 | HTT (0.56) | HTTALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL8505339 | 0.83 | HTT (0.54) | HTTALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL1520692 | 0.81 | HTT (0.53) | HTTALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL9333402 | 0.81 | HTT (0.53) | HTTALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL11369151 | 0.79 | TDP1 (0.59) | HTTALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL17494839 | 0.77 | ALDH1A1 (0.42) | HTTALDH1A1NPC1NPSR1MAPT | |
| SCHEMBL11651548 | 0.77 | HTT (0.47) | HTTALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL18305859 | 0.75 | KMT2A (0.52) | HTTALDH1A1RAB9ANPC1NPSR1 | |
| Bicarbonate SCHEMBL7649134 | 0.74 | HPGD (0.64) | HTTALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL4241780 | 0.74 | ALDH1A1 (0.63) | ALDH1A1HPGDNPSR1MEN1KMT2A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326648-A4 | NOVEL DYES FOR ORGAN FUNCTION MONITORING | MALLINCKRODT INC (US) | 2007-03-21 | — | — | EP | disclosed |
| EP-1326649-A4 | TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS | MALLINCKRODT INC (US) | 2007-03-21 | — | — | EP | disclosed |
| EP-1326602-A4 | INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS | MALLINCKRODT INC (US) | 2007-03-21 | — | — | EP | disclosed |
| EP-1326650-A4 | HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS | MALLINCKRODT INC (US) | 2006-08-16 | — | — | EP | disclosed |
| EP-1326651-A4 | DYNAMIC ORGAN FUNCTION MONITORING AGENTS | MALLINCKRODT INC (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2005089813-A2 | RECEPTOR-AVID EXOGENOUS OPTICAL CONTRAST AND THERAPEUTIC AGENTS | MALLINCKRODT INC. (US) | 2005-09-29 | — | — | WO | disclosed |
| EP-1326649-A1 | TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS | MALLINCKRODT INC. (US) | 2003-07-16 | — | — | EP | disclosed |
| EP-1326650-A2 | HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS | Mallinckrodt Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| EP-1326648-A1 | NOVEL DYES FOR ORGAN FUNCTION MONITORING | Mallinckrodt Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| EP-1326651-A2 | DYNAMIC ORGAN FUNCTION MONITORING AGENTS | Mallinckrodt Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| EP-1326602-A1 | INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS | MALLINCKRODT INC. (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002032421-A1 | INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS | MALLINCKRODT INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032465-A1 | TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS | MALLINCKRODT INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032464-A1 | NOVEL DYES FOR ORGAN FUNCTION MONITORING | MALLINCKRODT INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032285-A2 | HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS | MALLINCKRODT INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032860-A2 | DYNAMIC ORGAN FUNCTION MONITORING AGENTS | MALLINCKRODT INC. (US) | 2002-04-25 | — | — | WO | disclosed |