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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY2 known ✓ | P41231 | 17/20 | 0.86 |
| ▸ | P2RY4 known ✓ | P51582 | 10/20 | 0.86 |
| ▸ | P2RY6 known ✓ | Q15077 | 9/20 | 0.86 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL30111010 | 1.00 | P2RY2 (0.86) | P2RY2P2RY4P2RY6P2RY14 | |
| Denufosol SCHEMBL24414847 | 0.93 | P2RY2 (1.00) | P2RY2P2RY4P2RY6 | |
| Denufosol SCHEMBL22127329 | 0.93 | P2RY2 (1.00) | P2RY2P2RY4P2RY6 | |
| Denufosol SCHEMBL30480354 | 0.93 | P2RY2 (1.00) | P2RY2P2RY4P2RY6 | |
| Denufosol SCHEMBL15108954 | 0.93 | P2RY2 (1.00) | P2RY2P2RY4P2RY6 | |
| Denufosol SCHEMBL561652 | 0.92 | P2RY2 (0.98) | P2RY2P2RY4P2RY6 | |
| Denufosol SCHEMBL29366605 | 0.90 | P2RY2 (1.00) | P2RY2P2RY4P2RY6 | |
| Cytarabine 5'-Phosphate SCHEMBL25290865 | 0.87 | P2RY2 (0.89) | P2RY2P2RY4P2RY6 | |
| Phosphoric Acid SCHEMBL1684716 | 0.84 | P2RY2 (0.78) | P2RY2P2RY4P2RY6P2RY14 | |
| SCHEMBL15082664 | 0.84 | P2RY2 (1.00) | P2RY2P2RY4P2RY6P2RY14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110840847-B | Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases | 沃泰克斯药物股份有限公司 | 2022-07-29 | — | — | CN | disclosed |