Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
| ▸ | SCN1A | P35498 | 2/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.47 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8549503 | 0.99 | BCHE (0.51) | BCHEOPRK1SCN1ASCN2ASCN3A | |
| SCHEMBL8553603 | 0.89 | BCHE (0.54) | BCHEOPRK1SCN1ASCN2ASCN3A | |
| SCHEMBL8550944 | 0.89 | BCHE (0.54) | BCHESCN1ASCN2ASCN3ATSHR | |
| Hydrochloric Acid SCHEMBL8550594 | 0.88 | BCHE (0.53) | BCHESCN1ASCN2ASCN3ATSHR | |
| SCHEMBL8550210 | 0.88 | SLC6A12 (0.54) | BCHEOPRK1SCN1ASCN2ASCN3A | |
| SCHEMBL8552042 | 0.88 | BCHE (0.53) | BCHEOPRK1 | |
| Hydrochloric Acid SCHEMBL8553924 | 0.88 | BCHE (0.53) | BCHEOPRK1SCN1ASCN2ASCN3A | |
| SCHEMBL8551172 | 0.87 | BCHE (0.52) | BCHEOPRK1SCN1ASCN2ASCN3A | |
| SCHEMBL8551366 | 0.87 | BCHE (0.52) | BCHEOPRK1SCN1ASCN2ASCN3A | |
| Hydrochloric Acid SCHEMBL8554134 | 0.87 | BCHE (0.52) | BCHEOPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5753679-A | SCIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-19 | — | — | US | claimed |
| CN-1084329-C | Benzyl piepridine derivs as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2002-05-08 | — | — | CN | disclosed |
| EP-0871613-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-21 | — | — | EP | disclosed |
| CN-1183768-A | Benzyl piepridine derivs as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 1998-06-03 | — | — | CN | disclosed |
| US-5753679-A | SCIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1996035666-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 1996-11-14 | — | — | WO | disclosed |