Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.43 |
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8628957 | 0.73 | TACR1 (0.44) | TACR1TACR2TACR3 | |
| SCHEMBL6938384 | 0.72 | TACR1 (0.62) | TACR1 | |
| SCHEMBL6486909 | 0.60 | TACR1 (1.00) | TACR1 | |
| SCHEMBL548109 | 0.57 | SLC6A9 (0.49) | TACR1 | |
| SCHEMBL16226493 | 0.56 | KCNA5 (1.00) | — | |
| SCHEMBL16227209 | 0.56 | KCNA5 (1.00) | — | |
| SCHEMBL16227210 | 0.56 | KCNA5 (1.00) | — | |
| SCHEMBL11866514 | 0.55 | KCNA5 (0.68) | — | |
| SCHEMBL31010271 | 0.54 | KCNA5 (0.77) | — | |
| SCHEMBL14033674 | 0.54 | IDO1 (0.54) | TACR1 |
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-5760018-A | Gem-disubstituted azacyclic tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 1998-06-02 | — | — | US | disclosed |