Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 4/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7449696 | 0.90 | DRD3 (0.47) | DRD3ALDH1A1HTR1ADRD2FYN | |
| SCHEMBL7407181 | 0.89 | FYN (0.41) | DRD3ALDH1A1HTR1ADRD2FYN | |
| SCHEMBL7408451 | 0.87 | DRD2 (0.42) | DRD3ALDH1A1HTR1ADRD2FYN | |
| SCHEMBL7457771 | 0.86 | FNTA (0.40) | DRD3ALDH1A1HTR1ADRD2FYN | |
| SCHEMBL8094410 | 0.84 | GRM2 (0.41) | DRD3ALDH1A1TSHRHTR1ADRD2 | |
| SCHEMBL8103965 | 0.83 | ALDH1A1 (0.55) | DRD3ALDH1A1GAATSHRHSD17B10 | |
| SCHEMBL8109777 | 0.81 | DRD3 (0.50) | DRD3ALDH1A1HTR1ADRD2FYN | |
| SCHEMBL7404669 | 0.78 | FYN (0.51) | DRD3ALDH1A1HTR1ADRD2FYN | |
| SCHEMBL7451070 | 0.77 | DRD2 (0.50) | DRD3ALDH1A1GAATSHRHSD17B10 | |
| SCHEMBL8094393 | 0.76 | DRD3 (0.55) | DRD3ALDH1A1HTR1ADRD2FYN |
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 |