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 | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | PRKACG | P22612 | 1/20 | 0.31 |
| ▸ | PRKACB | P22694 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19714934 | 0.98 | CDK1 (0.39) | CDK1CCNB2CCNB1CCNB3NPC1 | |
| SCHEMBL17847291 | 0.87 | CCNB2 (0.42) | CDK1CCNB2CCNB1CCNB3NPC1 | |
| SCHEMBL19714872 | 0.85 | SLC29A1 (0.42) | CDK1CCNB2CCNB1CCNB3NPC1 | |
| SCHEMBL19715019 | 0.84 | SLC29A1 (0.42) | CDK1CCNB2CCNB1CCNB3NPC1 | |
| SCHEMBL17847304 | 0.83 | SLC29A1 (0.43) | CDK1CCNB2CCNB1CCNB3NPC1 | |
| SCHEMBL19714879 | 0.83 | SLC29A1 (0.44) | CDK1CCNB2CCNB1CCNB3NPC1 | |
| SCHEMBL17847263 | 0.81 | CDK1 (0.43) | CDK1CCNB2CCNB1CCNB3NPC1 | |
| SCHEMBL17847680 | 0.81 | CCNB2 (0.43) | CDK1CCNB2CCNB1CCNB3NPC1 | |
| SCHEMBL17847266 | 0.81 | SLC29A1 (0.40) | CDK1CCNB2CCNB1CCNB3NPC1 | |
| SCHEMBL19714941 | 0.80 | NPC1 (0.40) | CDK1CCNB2CCNB1CCNB3NPC1 |
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-3233861-A1 | 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS | Ustav Experimentalni Botaniky Av CR, V.V.I. (CZ) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016095880-A1 | 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS | USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) | 2016-06-23 | — | — | WO | disclosed |