Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.61 |
| ▸ | 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 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7343996 | 0.83 | HTR1A (0.63) | HTR1ADRD2DRD3DRD4 | |
| SCHEMBL7342806 | 0.79 | HTR1A (0.61) | HTR1AALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL6352686 | 0.76 | HTR1A (1.00) | HTR1ADRD2DRD3 | |
| SCHEMBL7343562 | 0.74 | HTR1A (0.64) | HTR1AALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL7349029 | 0.70 | HTR1A (0.62) | HTR1AALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL7348007 | 0.70 | HTR1A (0.68) | HTR1AALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL7351007 | 0.69 | HTR1A (0.63) | HTR1ADRD2DRD3DRD4 | |
| SCHEMBL6351120 | 0.69 | HTR1A (0.67) | HTR1ACYP2D6DRD2DRD3DRD4 | |
| SCHEMBL7348860 | 0.67 | HTR1A (0.63) | HTR1AALDH1A1CYP2D6ALOX15MAPK1 | |
| Pnu-99194A SCHEMBL29462288 | 0.66 | ALDH1A1 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| US-5436240-A | Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines | THE UPJOHN COMPANY (US) | 1995-07-25 | — | — | US | disclosed |
| EP-0480939-B1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | UPJOHN CO (US) | 1995-01-25 | — | — | EP | disclosed |
| US-5273975-A | Heterocyclic amines having central nervous system activity | THE UPJOHN COMPANY (US) | 1993-12-28 | — | — | US | disclosed |
| WO-1990015058-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-12-13 | — | — | WO | disclosed |