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 | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.31 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.31 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.31 |
| ▸ | COMT | P21964 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4024762 | 0.95 | COMT (0.39) | COMTNAPRTKDM4EALOX12LMNA | |
| SCHEMBL27678895 | 0.92 | COMT (0.38) | COMTNAPRTKDM4EALOX12LMNA | |
| Hydrochloric Acid SCHEMBL27466194 | 0.92 | COMT (0.38) | COMTNAPRTKDM4EALOX12LMNA | |
| Fluoride SCHEMBL27616949 | 0.92 | COMT (0.38) | COMTNAPRTKDM4EALOX12LMNA | |
| Pyridine SCHEMBL27582659 | 0.83 | NAPRT (0.42) | COMTNAPRTKDM4EALOX12LMNA | |
| Pyridine SCHEMBL27722277 | 0.81 | NAPRT (0.41) | COMTNAPRTKDM4EALOX12LMNA | |
| Pyridine SCHEMBL27750161 | 0.78 | NAPRT (0.38) | COMTNAPRTKDM4EALOX12LMNA | |
| SCHEMBL19741153 | 0.75 | COMT (0.30) | COMT | |
| Water SCHEMBL27695531 | 0.72 | PKM (0.47) | COMTNAPRTKDM4ELMNASMN1; SMN2 | |
| SCHEMBL5593062 | 0.71 | TXNRD1 (0.37) | KDM4EALOX12LMNATDP1ALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102014860-B | Hair cosmetic | SHISEIDO CO LTD | 2013-07-10 | — | — | CN | disclosed |
| CN-101267933-B | Laser welded body | ORIENT CHEMICAL IND | 2012-05-23 | — | — | CN | disclosed |
| CN-102387777-A | Hair cosmetic | SHISEIDO CO LTD | 2012-03-21 | — | — | CN | disclosed |
| CN-102387776-A | Hair cosmetic | SHISEIDO CO LTD | 2012-03-21 | — | — | CN | disclosed |
| CN-102038924-A | Medicine for removing dandruff and stopping itching | SONGFENG LU | 2011-05-04 | — | — | CN | disclosed |
| CN-102038832-A | Traditional Chinese medicine for treating dandruff | SONGFENG LU | 2011-05-04 | — | — | CN | disclosed |
| CN-102038923-A | Medicament for treating dandruff | SONGFENG LU | 2011-05-04 | — | — | CN | disclosed |
| CN-102014860-A | Hair cosmetic | SHISEIDO CO LTD | 2011-04-13 | — | — | CN | disclosed |
| CN-101267932-B | Laser welded body | Orient chemical ind co ltd | 2010-12-08 | — | — | CN | disclosed |
| CN-101267932-A | Laser welded body | ORIENT CHEMICAL IND (JP) | 2008-09-17 | — | — | CN | disclosed |
| CN-101267933-A | Laser welded body | ORIENT CHEMICAL IND (JP) | 2008-09-17 | — | — | CN | disclosed |