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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | STS | P08842 | 7/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9732670 | 0.95 | TSHR (0.51) | MAPTALDH1A1NPC1RAB9ASTS | |
| SCHEMBL9726303 | 0.90 | LMNA (0.54) | MAPTALDH1A1NPC1RAB9ASTS | |
| SCHEMBL10606532 | 0.90 | NPC1 (0.52) | MAPTNPC1KMT2ATSHRLMNA | |
| SCHEMBL9726266 | 0.88 | ALDH1A1 (0.54) | MAPTALDH1A1NPC1RAB9ASTS | |
| SCHEMBL10609875 | 0.86 | MAPT (0.52) | MAPTNPC1RAB9AKMT2ATSHR | |
| SCHEMBL9182046 | 0.85 | ELANE (0.50) | MAPTALDH1A1STSMEN1KMT2A | |
| SCHEMBL9726276 | 0.85 | SMN1; SMN2 (0.48) | MAPTALDH1A1NPC1RAB9ASTS | |
| SCHEMBL9732675 | 0.84 | POLB (0.47) | MAPTALDH1A1STSMEN1HPGD | |
| SCHEMBL9726257 | 0.83 | TSHR (0.54) | MAPTALDH1A1NPC1RAB9ASTS | |
| SCHEMBL11327872 | 0.80 | ALDH1A1 (0.68) | MAPTALDH1A1STSMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5078907-A | UNSYMMETRICAL DICARBOXYLIC ESTERS AS BLEACH PRECURSORS | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1992-01-07 | — | — | US | disclosed |
| EP-0426217-A2 | Bleach precursors | UNILEVER N.V. (NL) | 1991-05-08 | — | — | EP | disclosed |