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 | 2/20 | 0.58 |
| ▸ | HTR2A | P28223 | 6/20 | 0.51 |
| ▸ | HTR2C | P28335 | 4/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9501134 | 0.87 | CYP2D6 (0.73) | CYP2D6HTR2AHTR2CKCNH2HTR7 | |
| SCHEMBL9503550 | 0.82 | HTR2A (0.49) | CYP2D6HTR2AHTR2CKCNH2KMT2A | |
| SCHEMBL9079349 | 0.82 | CYP2D6 (0.58) | CYP2D6HTR2AHTR2CKCNH2HTR7 | |
| SCHEMBL9371564 | 0.76 | CYP2D6 (0.58) | CYP2D6HTR2AHTR2CKCNH2HTR7 | |
| SCHEMBL11621413 | 0.74 | CYP2D6 (1.00) | CYP2D6HTR2AHTR2CKCNH2HTR7 | |
| SCHEMBL9077465 | 0.71 | CYP2D6 (0.45) | CYP2D6HTR2AHTR2CKCNH2KMT2A | |
| SCHEMBL11791324 | 0.71 | HTR2A (0.61) | CYP2D6HTR2AHTR2CKCNH2KMT2A | |
| SCHEMBL11622050 | 0.69 | CYP2D6 (0.89) | CYP2D6HTR2AHTR2CKCNH2HTR7 | |
| SCHEMBL27301066 | 0.69 | HTR2A (0.61) | CYP2D6HTR2AHTR2CHTR7ALDH1A1 | |
| SCHEMBL11884141 | 0.69 | CYP2D6 (0.89) | CYP2D6HTR2AKCNH2KMT2AMEN1 |
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-0325268-B1 | 1,4-DISUBSTITUTED-PIPERIDINYL COMPOUNDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-02 | — | — | EP | disclosed |
| US-5162342-A | USE OF 1,4-DISUBSTITUTED-PIPERIDINYL COMPOUNDS FOR ANALGESIA AND MUSCLE RELAXATION | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-11-10 | — | — | US | disclosed |
| US-5064838-A | 1,4-DISUBSTITUTED-PIPERIDINYL COMPOUNDS AS PAIN RELIEVERS | MERRELL DOW PHARMACEUTICALS (US) | 1991-11-12 | — | — | US | disclosed |