Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | DRD3 | P35462 | 5/20 | 0.54 |
| ▸ | DRD2 | P14416 | 3/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8693500 | 0.87 | ALDH1A1 (0.72) | FYNALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL7447619 | 0.83 | ALDH1A1 (0.60) | FYNALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL7090402 | 0.80 | FYN (0.69) | FYNALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL8443814 | 0.79 | FYN (1.00) | FYNALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL8692999 | 0.78 | ALDH1A1 (0.71) | FYNALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL7092974 | 0.78 | FYN (0.66) | FYNALDH1A1CYP2D6CYP2C9ALOX15 | |
| Bromide SCHEMBL8689149 | 0.77 | FYN (0.96) | FYNALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL8688816 | 0.77 | ALDH1A1 (0.69) | FYNALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL8693035 | 0.77 | FYN (0.70) | FYNALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL27483394 | 0.76 | FYN (0.68) | FYNALDH1A1CYP2D6CYP2C9ALOX15 |
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 |