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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 19/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5653485 | 0.82 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL4456131 | 0.79 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL4865167 | 0.77 | GRM5 (0.46) | GRM5CYP1A2 | |
| SCHEMBL4150883 | 0.71 | GRM5 (1.00) | GRM5CYP1A2CYP2D6 | |
| Toluene SCHEMBL180606 | 0.71 | SMN1; SMN2 (0.65) | CYP1A2CYP2D6 | |
| SCHEMBL932442 | 0.71 | SMN1; SMN2 (0.73) | CYP1A2CYP2D6 | |
| SCHEMBL13836876 | 0.71 | SMN1; SMN2 (0.73) | CYP1A2CYP2D6 | |
| Benzene SCHEMBL5085625 | 0.71 | SMN1; SMN2 (0.64) | CYP2D6 | |
| Benzonitrile SCHEMBL30798086 | 0.70 | ALDH1A1 (0.50) | CYP1A2CYP2D6 | |
| Benzonitrile SCHEMBL28231507 | 0.70 | ALDH1A1 (0.50) | CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6956049-B1 | Methods of modulating processes mediated by excitatory amino acid receptors | MERCK & CO., INC. (US) | 2005-10-18 | — | — | US | claimed |
| US-6956049-B1 | Methods of modulating processes mediated by excitatory amino acid receptors | MERCK & CO., INC. (US) | 2005-10-18 | — | — | US | disclosed |