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 | |
|---|---|---|---|---|
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 8/20 | 0.57 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.43 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.43 |
| ▸ | PPARG known ✓ | P37231 | 2/20 | 0.43 |
| ▸ | CYSLTR2 | Q9NS75 | 8/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 9/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL9780316 | 1.00 | CYSLTR2 (0.57) | CYSLTR2CYSLTR1LMNAMEN1GLA | |
| SCHEMBL9780260 | 0.93 | CYSLTR2 (0.67) | CYSLTR2CYSLTR1LMNAMEN1GLA | |
| SCHEMBL9780312 | 0.92 | CYSLTR2 (0.66) | CYSLTR2CYSLTR1LMNAMEN1GLA | |
| SCHEMBL9780329 | 0.92 | CYSLTR2 (0.66) | CYSLTR2CYSLTR1LMNAMEN1GLA | |
| SCHEMBL9863287 | 0.92 | CYSLTR2 (0.57) | CYSLTR2CYSLTR1LMNAMEN1GLA | |
| SCHEMBL9780211 | 0.91 | CYSLTR2 (0.56) | CYSLTR2CYSLTR1LMNAMEN1GLA | |
| SCHEMBL9780213 | 0.86 | CYSLTR2 (0.47) | CYSLTR2CYSLTR1LMNAMEN1GLA | |
| SCHEMBL9780175 | 0.85 | CYSLTR2 (0.65) | CYSLTR2CYSLTR1LMNAPPARGPPARD | |
| SCHEMBL9780202 | 0.82 | CYSLTR2 (0.76) | CYSLTR2CYSLTR1LMNAPPARGPPARD | |
| SCHEMBL11070527 | 0.81 | CYSLTR2 (0.70) | CYSLTR2CYSLTR1LMNAMEN1GLA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4990526-A | Skin disorders, antiallergens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1991-02-05 | — | — | US | disclosed |