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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7465372 | 1.00 | CYP2D6 (0.54) | CYP2D6L3MBTL1MCOLN3ACHEALDH1A1 | |
| SCHEMBL4830968 | 0.80 | CYP2D6 (0.52) | CYP2D6L3MBTL1MCOLN3ACHEALDH1A1 | |
| SCHEMBL4826991 | 0.80 | CYP2D6 (0.51) | CYP2D6L3MBTL1ACHEALDH1A1KDM4E | |
| Cyclohexane SCHEMBL27563472 | 0.78 | GAA (0.54) | CYP2D6L3MBTL1ALDH1A1KDM4ETP53 | |
| Cyclopropane SCHEMBL2101355 | 0.78 | GAA (0.54) | CYP2D6L3MBTL1ALDH1A1KDM4ETP53 | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL15994943 | 0.78 | CYP2D6 (0.60) | CYP2D6L3MBTL1ALDH1A1KDM4ETP53 | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL29261751 | 0.78 | CYP2D6 (0.60) | CYP2D6L3MBTL1ALDH1A1KDM4ETP53 | |
| SCHEMBL28363662 | 0.77 | ACHE (0.55) | CYP2D6ACHEALDH1A1KDM4EPKM | |
| SCHEMBL2489459 | 0.77 | CYP2D6 (0.55) | CYP2D6L3MBTL1ACHEALDH1A1KDM4E | |
| Phosphine SCHEMBL28194487 | 0.77 | GAA (0.52) | CYP2D6L3MBTL1ALDH1A1KDM4ETP53 |
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 |