Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 0.61 |
| ▸ | TACR1 | P25103 | 15/20 | 0.61 |
| ▸ | TACR3 | P29371 | 8/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | CCR5 | P51681 | 2/20 | 0.54 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL7088993 | 0.97 | TACR2 (0.65) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL5677576 | 0.97 | TACR2 (0.65) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6951866 | 0.92 | TACR2 (0.62) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL31224112 | 0.89 | TACR2 (0.61) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7380394 | 0.89 | TACR2 (0.61) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL24855520 | 0.89 | TACR2 (0.61) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7307273 | 0.88 | TACR2 (0.54) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8349879 | 0.88 | TACR2 (0.60) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8204438 | 0.86 | TACR2 (0.67) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6543201 | 0.86 | TACR2 (0.66) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6291672-B1 | FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION | SANOFI-SYNTHELABO (FR) | 2001-09-18 | — | — | US | disclosed |
| US-6028082-A | FOR TRATING PSYCHOLOGICAL DISORDERS | SANOFI-SYNTHELABO (FR) | 2000-02-22 | — | — | US | disclosed |