Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 10/20 | 0.42 |
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | CPT1A | P50416 | 1/20 | 0.37 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL115277 | 0.81 | FAAH (0.47) | FAAHCES1CES2MEN1KMT2A | |
| SCHEMBL29174036 | 0.81 | FAAH (0.47) | FAAHCES1CES2MEN1KMT2A | |
| SCHEMBL5615079 | 0.72 | FAAH (0.48) | FAAHCES1CES2MEN1KMT2A | |
| SCHEMBL457604 | 0.72 | FAAH (0.48) | FAAHCES1CES2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL29047796 | 0.71 | FAAH (0.47) | FAAHCES1CES2MEN1KMT2A | |
| Stearic Acid SCHEMBL6652003 | 0.70 | CA1 (0.61) | CES1CES2GPR84NFKB1 | |
| SCHEMBL29174044 | 0.68 | FAAH (0.47) | FAAHCES1CES2MEN1KMT2A | |
| L-Lactic Acid SCHEMBL28087288 | 0.67 | CA1 (0.48) | CES1CES2GPR84NFKB1 | |
| SCHEMBL30063794 | 0.67 | CES1 (0.53) | FAAHCES1CES2MEN1KMT2A | |
| Octanoic Acid SCHEMBL526187 | 0.67 | FABP3 (0.58) | CES1CES2GPR84NFKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0763355-B1 | HAIR TREATMENT COMPOSITION TO BE MIXED JUST BEFORE USE | SHISEIDO CO LTD (JP) | 2003-10-15 | — | — | EP | disclosed |
| US-5785961-A | Mixing-at the time of use-type hair-treating composition | SHISEIDO COMPANY, LTD. (JP) | 1998-07-28 | — | — | US | disclosed |
| EP-0763355-A1 | HAIR TREATMENT COMPOSITION TO BE MIXED JUST BEFORE USE | SHISEIDO COMPANY LIMITED (JP) | 1997-03-19 | — | — | EP | disclosed |