Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.43 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.38 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.37 |
| ▸ | GHSR known ✓ | Q92847 | 2/20 | 0.36 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | PRKCB | P05771 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | PRKCH | P24723 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2849210 | 0.99 | MYC (0.45) | MYCHTR6ALDH1A1LMNABRPF1 | |
| SCHEMBL20129650 | 0.84 | CA2 (0.43) | HTR6ALDH1A1LMNABRPF1BRD4 | |
| SCHEMBL6849293 | 0.83 | HTR6 (0.43) | MYCHTR6ALDH1A1LMNADRD2 | |
| SCHEMBL6288232 | 0.83 | HTR6 (0.43) | MYCHTR6DRD2 | |
| SCHEMBL6847420 | 0.83 | HDAC1 (0.41) | MYCHTR6ALDH1A1LMNAPRKCQ | |
| SCHEMBL6849062 | 0.81 | RPS6KB1 (0.47) | MYCHTR6PRKCQPRKCD | |
| SCHEMBL2851145 | 0.81 | ADRB1 (0.41) | MYCHTR6BIRC2DRD2 | |
| SCHEMBL6848056 | 0.80 | LATS1 (0.40) | MYCHTR6PRKCQHTR2CDRD2 | |
| Water SCHEMBL6904877 | 0.79 | HTR6 (0.65) | MYCHTR6ALDH1A1LMNACYP2D6 | |
| SCHEMBL6847591 | 0.78 | HTR6 (0.39) | MYCHTR6CYP3A4HRH4 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100496495-C | Remedies and/or preventives for diabetic ischemic heart diseases | MITSUBISHI PHARMA CORP (JP) | 2009-06-10 | — | — | CN | claimed |
| CN-100486574-C | Remedies and/or preventives for nervous system disorders | MITSUBISHI PHARMACEUTICALS INC (JP) | 2009-05-13 | — | — | CN | claimed |
| CN-1946396-A | Medicine for prevention and/or treatment of ischemic circulatory disease | MITSUBISHI PHARMA CORP (JP) | 2007-04-11 | — | — | CN | claimed |
| CN-1638773-A | Pharmaceutical preparation containing aminobenzenesulfonic acid derivative as active ingredient | MITSUBISHI PHARMA CORP (JP) | 2005-07-13 | — | — | CN | claimed |
| EP-1249245-B1 | REMEDIES AND/OR PREVENTIVES FOR NERVOUS SYSTEM DISORDERS | MITSUBISHI PHARMA CORP (JP) | 2004-12-15 | — | — | EP | claimed |
| CN-1533292-A | Medicament inhititing sodium/calcium exchange system | 三菱制药株式会社 | 2004-09-29 | — | — | CN | claimed |
| CN-1496261-A | Remedies and/or preventives for diabetic ischemic heart diseases | 三菱制药株式会社 | 2004-05-12 | — | — | CN | claimed |
| EP-1374868-A1 | REMEDIES AND/OR PREVENTIVES FOR DIABETIC ISCHEMIC HEART DISEASES | Mitsubishi Pharma Corporation (JP) | 2004-01-02 | — | — | EP | claimed |
| CN-1434724-A | Remedies and/or preventives for nervous system disorders | MITSUBISHI PHARMACEUTICALS INC (JP) | 2003-08-06 | — | — | CN | claimed |
| WO-2026004998-A1 | PHARMACEUTICAL COMPOSITION FOR KERATOSIS AND USE THEREOF | 田辺三菱製薬株式会社 | 2026-01-02 | — | — | WO | disclosed |
| CN-100502861-C | Medicament inhibiting sodium/calcium exchange system | MITSUBISHI PHARMA CORP (JP) | 2009-06-24 | — | — | CN | disclosed |
| CN-100496495-C | Remedies and/or preventives for diabetic ischemic heart diseases | MITSUBISHI PHARMA CORP (JP) | 2009-06-10 | — | — | CN | disclosed |
| CN-100486574-C | Remedies and/or preventives for nervous system disorders | MITSUBISHI PHARMACEUTICALS INC (JP) | 2009-05-13 | — | — | CN | disclosed |
| CN-1946396-A | Medicine for prevention and/or treatment of ischemic circulatory disease | MITSUBISHI PHARMA CORP (JP) | 2007-04-11 | — | — | CN | disclosed |
| EP-1723955-A1 | MEDICINE FOR PREVENTION AND/OR TREATMENT OF ISCHEMIC CIRCULATORY DISEASE | Mitsubishi Pharma Corporation (JP) | 2006-11-22 | — | — | EP | disclosed |
| CN-1638773-A | Pharmaceutical preparation containing aminobenzenesulfonic acid derivative as active ingredient | MITSUBISHI PHARMA CORP (JP) | 2005-07-13 | — | — | CN | disclosed |
| CN-1533292-A | Medicament inhititing sodium/calcium exchange system | 三菱制药株式会社 | 2004-09-29 | — | — | CN | disclosed |
| CN-1496261-A | Remedies and/or preventives for diabetic ischemic heart diseases | 三菱制药株式会社 | 2004-05-12 | — | — | CN | disclosed |
| EP-1374868-A1 | REMEDIES AND/OR PREVENTIVES FOR DIABETIC ISCHEMIC HEART DISEASES | Mitsubishi Pharma Corporation (JP) | 2004-01-02 | — | — | EP | disclosed |
| CN-1434724-A | Remedies and/or preventives for nervous system disorders | MITSUBISHI PHARMACEUTICALS INC (JP) | 2003-08-06 | — | — | CN | disclosed |