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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.48 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7597924 | 0.84 | FPR2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL13572956 | 0.84 | FPR2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL6575200 | 0.84 | FPR2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL14564293 | 0.82 | ATM (0.50) | CYP2C19ALDH1A1PPARGPPARANPC1 | |
| SCHEMBL14590363 | 0.82 | ATM (0.50) | CYP2C19ALDH1A1PPARGPPARANPC1 | |
| SCHEMBL6575139 | 0.82 | ATM (0.50) | CYP2C19ALDH1A1PPARGPPARANPC1 | |
| SCHEMBL11037057 | 0.76 | ALDH1A1 (0.44) | CYP1A2CYP3A4CYP2D6ALOX15CYP2C19 | |
| 1,4-Dichlorobenzene SCHEMBL29046429 | 0.76 | LMNA (0.53) | CYP1A2CYP3A4CYP2D6ALOX15CYP2C19 | |
| SCHEMBL5314183 | 0.76 | LMNA (0.53) | CYP1A2CYP3A4CYP2D6ALOX15CYP2C19 | |
| SCHEMBL16212878 | 0.75 | KMT2A (0.45) | CYP1A2CYP3A4CYP2D6ALOX15CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1023289-A4 | DOPAMINE TRANSPORTER IMAGING LIGAND | RES TRIANGLE INST (US) | 2002-01-09 | — | — | EP | disclosed |
| EP-1023289-A1 | DOPAMINE TRANSPORTER IMAGING LIGAND | RESEARCH TRIANGLE INSTITUTE (US) | 2000-08-02 | — | — | EP | disclosed |
| WO-1999018103-A1 | DOPAMINE TRANSPORTER IMAGING LIGAND | RESEARCH TRIANGLE INSTITUTE (US) | 1999-04-15 | — | — | WO | disclosed |