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 | 0.41 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1574487 | 0.80 | HTR2C (0.42) | MLNR | |
| SCHEMBL15536799 | 0.75 | BCHE (0.43) | BCHEACHEEGFRERBB2CNR2 | |
| SCHEMBL9663380 | 0.75 | BCHE (0.50) | BCHEACHEEGFRERBB2CNR2 | |
| SCHEMBL15536797 | 0.74 | PROKR1 (0.46) | MAPTCYP2D6CYP2C19CYP1A2CYP3A4 | |
| 1,4-Dichlorobenzene SCHEMBL29046429 | 0.74 | LMNA (0.53) | BCHEACHEEGFRERBB2CNR2 | |
| SCHEMBL5314183 | 0.74 | LMNA (0.53) | BCHEACHEEGFRERBB2CNR2 | |
| Aziridine SCHEMBL5185484 | 0.74 | ALDH1A1 (0.50) | MAPTCYP2D6HTTALDH1A1GAA | |
| SCHEMBL7251659 | 0.73 | BCHE (0.54) | BCHEACHEEGFRERBB2CNR2 | |
| Piperazine SCHEMBL7635861 | 0.72 | ALDH1A1 (0.49) | MAPTCYP2D6HTTALDH1A1GAA | |
| Piperazine SCHEMBL5875357 | 0.72 | ALDH1A1 (0.49) | MAPTCYP2D6HTTALDH1A1GAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3218363-A1 | SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED GASTROINTESTINAL DISORDERS | Takeda Pharmaceutical Company Limited (JP) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016075457-A1 | SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED GASTROINTESTINAL DISORDERS | TAKEDA CAMBRIDGE LIMITED (GB) | 2016-05-19 | — | — | WO | disclosed |
| EP-3010900-A1 | 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS | Takeda Pharmaceutical Company Limited (JP) | 2016-04-27 | — | — | EP | disclosed |
| EP-2855449-A1 | SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |
| WO-2014202999-A1 | 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS | TAKEDA CAMBRIDGE LIMITED (GB) | 2014-12-24 | — | — | WO | disclosed |
| WO-2013179024-A1 | SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-12-05 | — | — | WO | disclosed |