Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.49 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.39 |
| ▸ | TACR3 | P29371 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016694 | 0.90 | TACR1 (0.52) | TACR1GPBAR1 | |
| SCHEMBL6016648 | 0.90 | TACR1 (0.43) | TACR1MAPTGPBAR1 | |
| SCHEMBL6016511 | 0.90 | GPBAR1 (0.40) | TACR1MAPTHPGDGPBAR1 | |
| SCHEMBL6016387 | 0.89 | TACR1 (0.42) | TACR1MAPT | |
| SCHEMBL7991080 | 0.89 | CETP (0.45) | TACR1MAPTGPBAR1 | |
| SCHEMBL6016361 | 0.84 | TACR1 (0.42) | TACR1MAPTGPBAR1TACR3 | |
| SCHEMBL6016484 | 0.83 | RXFP1 (0.46) | TACR1MAPT | |
| SCHEMBL7991781 | 0.79 | EPAS1 (0.43) | TACR1EPAS1 | |
| SCHEMBL6016465 | 0.77 | TACR1 (0.47) | TACR1GPBAR1 | |
| SCHEMBL6016506 | 0.74 | TACR1 (0.48) | TACR1GPBAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |