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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 7/20 | 0.66 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.66 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.66 |
| ▸ | ABCC2 | Q92887 | 3/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.59 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.59 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.59 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.59 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.59 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612308 | 0.91 | CYSLTR1 (0.64) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| SCHEMBL16612310 | 0.91 | CYSLTR1 (0.64) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| SCHEMBL17833480 | 0.80 | CYSLTR1 (0.89) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| Verlukast SCHEMBL26976748 | 0.80 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| Verlukast SCHEMBL31237455 | 0.80 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| Verlukast SCHEMBL156453 | 0.80 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| SCHEMBL9278598 | 0.77 | CYSLTR1 (0.78) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| SCHEMBL9278602 | 0.77 | CYSLTR1 (0.78) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| Dimethylcarbate SCHEMBL9327878 | 0.76 | CYSLTR1 (0.90) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| SCHEMBL9268119 | 0.75 | CYSLTR1 (0.70) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2774623-B1 | Combinations comprising antimuscarinic agents and beta-adrenergic agonists | ALMIRALL SA (ES) | 2015-04-08 | — | — | EP | disclosed |