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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 3/20 | 0.49 |
| ▸ | ADORA1 known ✓ | P30542 | 3/20 | 0.49 |
| ▸ | ADORA2B known ✓ | P29275 | 2/20 | 0.49 |
| ▸ | PI4KA | P42356 | 2/20 | 0.49 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.49 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.49 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NT5E | P21589 | 2/20 | 0.44 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.44 |
| ▸ | AHCY | P23526 | 4/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8897126 | 0.87 | CYP3A4 (0.61) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL8895386 | 0.86 | CYP3A4 (0.60) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL8709067 | 0.84 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL8896254 | 0.78 | HPRT1 (0.59) | — | |
| SCHEMBL20057109 | 0.76 | ADORA2A (0.51) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL8896651 | 0.75 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL3468483 | 0.72 | AHCY (0.53) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL886938 | 0.72 | CYP3A4 (0.67) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL8895953 | 0.72 | CYP3A4 (0.54) | ADORA2AADORA1CYP3A4NT5EENPP1 | |
| SCHEMBL22300665 | 0.71 | ADORA2A (0.71) | ADORA2AADORA1ADORA2BPI4KAPI4K2B |
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-0398231-B1 | Nucleoside analogs | ACAD OF SCIENCE CZECH REPUBLIC (CZ) | 1997-07-16 | — | — | EP | claimed |