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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MGLL | Q99685 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.50 |
| ▸ | KDM1A | O60341 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.49 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5764892 | 0.95 | POLB (0.60) | POLBMGLLNPC1RAB9ATP53 | |
| SCHEMBL27614624 | 0.84 | L3MBTL1 (0.59) | POLBMGLLNPC1RAB9ATP53 | |
| Benzyl Phenylcarbamate SCHEMBL1222943 | 0.81 | POLB (0.78) | POLBMGLLNPC1RAB9ATP53 | |
| SCHEMBL10595799 | 0.77 | POLB (0.73) | POLBMGLLNPC1RAB9ATP53 | |
| SCHEMBL1870929 | 0.76 | POLB (0.71) | POLBMGLLNPC1RAB9ATP53 | |
| Benzyl Phenylcarbamate SCHEMBL2635177 | 0.76 | POLB (0.71) | POLBMGLLNPC1RAB9ATP53 | |
| SCHEMBL2040848 | 0.75 | ALDH1A1 (0.47) | POLBMGLLNPC1RAB9AMAPT | |
| SCHEMBL10598558 | 0.75 | POLB (0.69) | POLBMGLLNPC1RAB9ATP53 | |
| SCHEMBL655257 | 0.75 | MGLL (0.66) | POLBMGLLNPC1RAB9ATP53 | |
| SCHEMBL9459601 | 0.75 | MGLL (0.66) | POLBMGLLNPC1RAB9ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1732923-A2 | MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005099706-A2 | MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2005-10-27 | — | — | WO | disclosed |