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 | 0.49 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 10/20 | 0.56 |
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MLNR | O43193 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | FYN | P06241 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9531532 | 0.91 | BCHE (0.65) | BCHEDRD2DRD4DRD3HTT | |
| SCHEMBL9533303 | 0.90 | BCHE (0.45) | BCHEDRD2DRD4DRD3HTT | |
| SCHEMBL9533720 | 0.89 | CHRM2 (0.59) | BCHEDRD2DRD4DRD3HTT | |
| SCHEMBL9531602 | 0.88 | BCHE (0.50) | BCHEDRD2DRD4DRD3HTT | |
| SCHEMBL9535380 | 0.88 | NPC1 (0.47) | BCHEDRD2DRD4DRD3HTT | |
| SCHEMBL9533482 | 0.87 | KCNH2 (0.43) | BCHEDRD2DRD4DRD3HTT | |
| SCHEMBL9674245 | 0.86 | BCHE (0.59) | BCHEDRD2DRD4DRD3HTT | |
| SCHEMBL4021861 | 0.86 | CHRM2 (0.63) | BCHEDRD2DRD4DRD3HTT | |
| SCHEMBL9533214 | 0.85 | BCHE (0.45) | BCHEDRD2DRD4DRD3HTT | |
| Bepotastine SCHEMBL4005011 | 0.82 | BCHE (0.47) | BCHEDRD2DRD4DRD3HTT |
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-0335586-B1 | PIPERIDINE & PIPERAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | UBE INDUSTRIES, LTD. (JP) | 1993-06-02 | — | — | EP | disclosed |
| US-4929618-A | ANTIALLERGENS, ANTIHISTAMINES | UBE INDUSTRIES, LTD. (JP) | 1990-05-29 | — | — | US | disclosed |
| EP-0335586-A1 | Piperidine & piperazine derivatives, process for preparing the same and pharmaceutical compositions containing the same | UBE INDUSTRIES, LTD. (JP) | 1989-10-04 | — | — | EP | disclosed |