Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.51 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9825523 | 0.79 | HTR1A (0.54) | SIGMAR1S1PR1S1PR3DRD4HTR1A | |
| SCHEMBL9825804 | 0.79 | SIGMAR1 (0.53) | SIGMAR1DRD4HTR1ADRD2DRD3 | |
| SCHEMBL9825122 | 0.76 | HRH3 (0.61) | HRH3CYP2D6HTR1ADRD2DRD3 | |
| SCHEMBL9825271 | 0.75 | HTR1A (0.52) | SIGMAR1S1PR1S1PR3DRD4HTR1A | |
| SCHEMBL9466847 | 0.75 | SIGMAR1 (0.63) | SIGMAR1HTR1APARP1 | |
| SCHEMBL9826322 | 0.75 | DRD3 (0.76) | SIGMAR1HRH3CYP2D6HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL10518868 | 0.75 | DRD2 (0.62) | SIGMAR1DRD4DRD2DRD3 | |
| Water SCHEMBL9825366 | 0.74 | HTR1A (0.51) | SIGMAR1S1PR1S1PR3DRD4HTR1A | |
| SCHEMBL9466984 | 0.74 | SIGMAR1 (0.61) | SIGMAR1HTR1APARP1 | |
| SCHEMBL9467110 | 0.74 | SIGMAR1 (0.58) | SIGMAR1HTR1APARP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0237781-B1 | PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS | WARNER-LAMBERT COMPANY (US) | 1991-04-24 | — | — | EP | claimed |
| US-4704390-A | SCHIZOPHRENIA | WARNER-LAMBERT COMPANY (US) | 1987-11-03 | — | — | US | claimed |
| EP-0237781-A2 | Phenyl and heterocyclic tetrahydropyridyl and piperazinyl alkoxy-benzheterocyclic compounds as antipsychotic agents | WARNER-LAMBERT COMPANY (US) | 1987-09-23 | — | — | EP | claimed |
| EP-0237781-B1 | PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS | WARNER-LAMBERT COMPANY (US) | 1991-04-24 | — | — | EP | disclosed |
| US-4803203-A | SCHIZOPHRENIA, NEUOLEPTIC AGENTS | WARNER-LAMBERT COMPANY (US) | 1989-02-07 | — | — | US | disclosed |
| US-4704390-A | SCHIZOPHRENIA | WARNER-LAMBERT COMPANY (US) | 1987-11-03 | — | — | US | disclosed |
| EP-0237781-A2 | Phenyl and heterocyclic tetrahydropyridyl and piperazinyl alkoxy-benzheterocyclic compounds as antipsychotic agents | WARNER-LAMBERT COMPANY (US) | 1987-09-23 | — | — | EP | disclosed |