Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.49 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | FAP | Q12884 | 2/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2539307 | 0.99 | TYR (0.50) | TYRFKBP1AALDH1A1CA1CA2 | |
| SCHEMBL192842 | 0.93 | DPP4 (0.44) | TYRFKBP1AALDH1A1DPP4FAP | |
| SCHEMBL14856740 | 0.87 | LMNA (0.41) | TYRFKBP1AALDH1A1CA1CA2 | |
| SCHEMBL7782897 | 0.85 | TYR (0.62) | TYRDPP4FAPDPP8DPP9 | |
| SCHEMBL22375034 | 0.85 | TYR (0.62) | TYRDPP4FAPDPP8DPP9 | |
| SCHEMBL23642931 | 0.85 | TYR (0.62) | TYRDPP4FAPDPP8DPP9 | |
| SCHEMBL6803149 | 0.85 | TYR (0.62) | TYRDPP4FAPDPP8DPP9 | |
| SCHEMBL22375169 | 0.85 | TYR (0.62) | TYRDPP4FAPDPP8DPP9 | |
| SCHEMBL23643091 | 0.85 | TYR (0.62) | TYRDPP4FAPDPP8DPP9 | |
| SCHEMBL25769168 | 0.85 | TYR (0.62) | TYRDPP4FAPDPP8DPP9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012048013-A2 | PHOSPHORODIAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INJECTIONS | INHIBITEX, INC. (US) | 2012-04-12 | — | — | WO | disclosed |