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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 3/20 | 0.49 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.54 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.54 |
| ▸ | NT5E | P21589 | 1/20 | 0.54 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.52 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.52 |
| ▸ | AHCY | P23526 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.46 |
| ▸ | FAP | Q12884 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8897633 | 0.90 | CYP3A4 (0.67) | CYP3A4ENPP1FGFR1SLC22A6ADORA2A | |
| SCHEMBL8709166 | 0.89 | CYP3A4 (0.65) | CYP3A4ENPP1FGFR1SLC22A6ADORA2A | |
| SCHEMBL8709179 | 0.89 | CYP3A4 (0.65) | CYP3A4ENPP1FGFR1SLC22A6ADORA2A | |
| SCHEMBL8896206 | 0.79 | BLM (0.67) | CYP3A4ALDH1A1 | |
| Pyrophosphoric Acid SCHEMBL10602251 | 0.79 | CYP3A4 (0.55) | CYP3A4ENPP1NT5EFGFR1SLC22A6 | |
| SCHEMBL30292318 | 0.77 | ADORA2A (0.64) | CYP3A4ADORA2AAHCYADORA1ALDH1A1 | |
| SCHEMBL4093935 | 0.77 | ADORA2A (0.64) | CYP3A4ADORA2AAHCYADORA1ALDH1A1 | |
| SCHEMBL10601866 | 0.77 | ENPP1 (0.53) | CYP3A4ENPP1NT5EFGFR1SLC22A6 | |
| Phosphoric Acid SCHEMBL10601870 | 0.76 | AHCY (0.55) | CYP3A4ENPP1NT5EFGFR1SLC22A6 | |
| SCHEMBL9569754 | 0.76 | CYP3A4 (0.52) | CYP3A4ENPP1FGFR1SLC22A6ADORA2A |
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 4 patents. 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 |
| EP-0398231-A2 | Nucleoside analogs | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) | 1990-11-22 | — | — | EP | claimed |
| EP-0398231-B1 | Nucleoside analogs | ACAD OF SCIENCE CZECH REPUBLIC (CZ) | 1997-07-16 | — | — | EP | disclosed |
| EP-0398231-A2 | Nucleoside analogs | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) | 1990-11-22 | — | — | EP | disclosed |