Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.51 |
| ▸ | TACR2 | P21452 | 1/20 | 0.46 |
| ▸ | TACR3 | P29371 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8483549 | 0.94 | TACR1 (0.56) | TACR1TACR2TACR3 | |
| SCHEMBL8483945 | 0.89 | TACR1 (0.55) | TACR1TACR2TACR3 | |
| SCHEMBL8485327 | 0.85 | TACR1 (0.46) | TACR1TACR2TACR3 | |
| SCHEMBL8479045 | 0.83 | TACR1 (0.45) | TACR1TACR2 | |
| SCHEMBL8485199 | 0.82 | TACR1 (0.44) | TACR1TACR2TACR3 | |
| SCHEMBL8991937 | 0.82 | TACR1 (0.48) | TACR1TACR2TACR3 | |
| SCHEMBL4630795 | 0.82 | TACR1 (0.40) | TACR1TACR2TACR3SLC6A2SLC6A4 | |
| Water SCHEMBL8840361 | 0.81 | TACR1 (0.47) | TACR1TACR2TACR3 | |
| SCHEMBL8479705 | 0.79 | TACR1 (0.51) | TACR1TACR2TACR3 | |
| SCHEMBL5201454 | 0.78 | SLC6A2 (0.49) | TACR1TACR2TACR3SLC6A2SLC6A4 |
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-5859029-A | TREATING SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS | SANOFI (FR) | 1999-01-12 | — | — | US | disclosed |
| US-5656639-A | POSSESS STRONG AFFINITY FOR NK1 RECEPTORS; USEFUL IN TREATMENT OF SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS | SANOFI (FR) | 1997-08-12 | — | — | US | disclosed |
| EP-0723959-A1 | Heterocyclic compounds as tachykinin receptor antagonists, process for their preparation and pharmaceuticals containing them | SANOFI (FR) | 1996-07-31 | — | — | EP | disclosed |