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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL2472017 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CYP2D6MAPK1PKMGAA | |
| SCHEMBL2475678 | 0.83 | CHRNA7 (0.42) | ALDH1A1CYP2D6GAAKMT2AMEN1 | |
| SCHEMBL2551515 | 0.83 | CHRNA7 (0.42) | ALDH1A1CYP2D6GAAKMT2AMEN1 | |
| SCHEMBL4047457 | 0.80 | ALDH1A1 (0.59) | ALDH1A1CYP2D6MAPK1PKMKMT2A | |
| SCHEMBL1802065 | 0.79 | CYP3A4 (0.52) | ALDH1A1CYP2D6MAPK1GAAKMT2A | |
| Hydrochloric Acid SCHEMBL7654483 | 0.77 | CYP3A4 (0.50) | ALDH1A1CYP2D6MAPK1GAAKMT2A | |
| Carbamic Acid SCHEMBL17460309 | 0.76 | GAA (0.47) | ALDH1A1CYP2D6MAPK1GAAKMT2A | |
| Cyclopropane SCHEMBL2101355 | 0.75 | GAA (0.54) | ALDH1A1CYP2D6PKMGAAKMT2A | |
| Cyclohexane SCHEMBL27563472 | 0.75 | GAA (0.54) | ALDH1A1CYP2D6PKMGAAKMT2A | |
| SCHEMBL8867741 | 0.75 | CYP2D6 (0.62) | ALDH1A1CYP2D6MAPK1PKMGAA |
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-2011121099-A2 | PROCESS FOR THE PREPARATION OF 1-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-[4-(DIPHENYLMETHOXY)-1-PIPERIDINYL]-1-BUTANONE AND ACID ADDITION SALTS THEREOF | AREVIPHARMA GMBH (DE) | 2011-10-06 | — | — | WO | disclosed |