Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7091805 | 0.91 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL7093200 | 0.91 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL8688816 | 0.90 | ALDH1A1 (0.69) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL7447619 | 0.88 | ALDH1A1 (0.60) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL7096455 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL8442018 | 0.86 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL7091005 | 0.86 | ALDH1A1 (0.56) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6389795 | 0.86 | ALDH1A1 (0.56) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL7090296 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL7090289 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923542-B1 | ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS | UPJOHN CO (US) | 2003-08-20 | — | — | EP | disclosed |
| US-6084130-A | FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | PHARMACIA & UPJOHN COMPANY (US) | 2000-07-04 | — | — | US | disclosed |
| EP-0923542-A1 | ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1997045403-A1 | ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 1997-12-04 | — | — | WO | disclosed |