Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.54 |
| ▸ | DRD3 | P35462 | 8/20 | 0.54 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL7451238 | 0.89 | DRD2 (0.51) | DRD2DRD3DRD4ALDH1A1CYP2D6 | |
| SCHEMBL7451070 | 0.86 | DRD2 (0.50) | DRD2DRD3DRD4ALDH1A1CYP2D6 | |
| SCHEMBL7454943 | 0.82 | ALDH1A1 (0.52) | DRD2DRD3DRD4ALDH1A1CYP2D6 | |
| SCHEMBL8094385 | 0.81 | FYN (0.54) | DRD2DRD3DRD4ALDH1A1CYP2D6 | |
| SCHEMBL7448310 | 0.80 | DRD3 (0.48) | DRD2DRD3DRD4 | |
| SCHEMBL7459110 | 0.78 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL8103977 | 0.77 | FYN (0.55) | DRD2DRD3DRD4ALDH1A1CYP2D6 | |
| SCHEMBL8094262 | 0.77 | CHRM5 (0.47) | DRD2DRD3DRD4ALDH1A1CYP2D6 | |
| SCHEMBL7456278 | 0.76 | DRD3 (0.50) | DRD2DRD3DRD4ALDH1A1CYP2D6 | |
| SCHEMBL8103975 | 0.76 | FYN (0.57) | DRD2DRD3ALDH1A1CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |