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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 known ✓ | Q15119 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 4/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 1/20 | 0.40 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.40 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.39 |
| ▸ | PKLR | P30613 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11444847 | 1.00 | MAOA (0.47) | MAOAMAOBRELACYP1A1CYP1A2 | |
| SCHEMBL1170842 | 0.92 | MAOA (0.44) | MAOAMAOBRELACYP1A1CYP1A2 | |
| SCHEMBL1170844 | 0.92 | MAOA (0.44) | MAOAMAOBRELACYP1A1CYP1A2 | |
| SCHEMBL27797862 | 0.81 | MAOA (0.49) | MAOAMAOBRELANFE2L2SRD5A1 | |
| SCHEMBL7590543 | 0.81 | MAOA (0.49) | MAOAMAOBRELANFE2L2SRD5A1 | |
| SCHEMBL11444848 | 0.79 | MAOA (0.47) | MAOAMAOBRELANFE2L2SRD5A1 | |
| SCHEMBL28532673 | 0.79 | MAOA (0.47) | MAOAMAOBRELANFE2L2SRD5A1 | |
| SCHEMBL11741660 | 0.77 | NFE2L2 (0.46) | MAOAMAOBRELANFE2L2CYP19A1 | |
| (Z)-1,2-Diphenylethene SCHEMBL29093047 | 0.76 | PTPN1 (0.43) | MAOBNFE2L2PTPN1RAD51PKLR | |
| SCHEMBL30835513 | 0.76 | PTPN1 (0.40) | MAOAMAOBNFE2L2PTPN1RAD51 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2128236-B1 | Light duty detergent | CHEMISCHE FABRIK KREUSSLER & CO GMBH (DE) | 2018-04-11 | — | — | EP | disclosed |
| US-20110130704-A1 | COMBINATION OF A LIGHT RAY AND A LIPASE-BIOCONVERTIBLE COMPOUND FOR IMPROVING SKIN AND/OR HAIR APPEARANCE | L'OREAL (FR) | 2011-06-02 | — | — | US | disclosed |
| EP-2128236-A1 | Light duty detergent | CHEMISCHE FABRIK KREUSSLER & CO. GMBH (DE) | 2009-12-02 | — | — | EP | disclosed |
| US-4224205-A | NONIONIC SURFACTANT, STILBENE DYE | KAO SOAP COMPANY (JP) | 1980-09-23 | — | — | US | disclosed |