Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.54 |
| ▸ | LTA4H | P09960 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9825271 | 0.90 | HTR1A (0.52) | HTR1ASIGMAR1TDP1CYP1A2CYP3A4 | |
| Water SCHEMBL9825366 | 0.89 | HTR1A (0.51) | HTR1ASIGMAR1TDP1CYP1A2CYP3A4 | |
| SCHEMBL9825799 | 0.79 | SIGMAR1 (0.51) | HTR1ASIGMAR1DRD2DRD4DRD3 | |
| SCHEMBL9825205 | 0.78 | HTR1A (0.68) | HTR1ATDP1CYP1A2CYP3A4MAPT | |
| SCHEMBL8908174 | 0.75 | DRD2 (0.63) | DRD2DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL10518868 | 0.75 | DRD2 (0.62) | SIGMAR1DRD2DRD4DRD3KDM4E | |
| SCHEMBL9825701 | 0.74 | HTR1A (0.70) | HTR1ATDP1CYP1A2CYP3A4MAPT | |
| SCHEMBL31159472 | 0.74 | LTA4H (0.85) | LTA4HDRD2DRD3 | |
| SCHEMBL30704360 | 0.73 | HTR5A (0.65) | LTA4H | |
| SCHEMBL30704361 | 0.73 | HTR5A (0.64) | LTA4H |
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 |