Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.68 |
| ▸ | TACR3 | P29371 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8544652 | 0.88 | TACR1 (0.69) | TACR1TACR3SLC6A4 | |
| SCHEMBL8546545 | 0.85 | TACR1 (0.66) | TACR1TACR3SLC6A4 | |
| SCHEMBL3593353 | 0.83 | TACR1 (0.62) | TACR1TACR3 | |
| SCHEMBL3587152 | 0.83 | TACR1 (0.62) | TACR1TACR3 | |
| SCHEMBL3587155 | 0.83 | TACR1 (0.62) | TACR1TACR3 | |
| SCHEMBL9218678 | 0.82 | TACR1 (0.66) | TACR1TACR3 | |
| SCHEMBL9023841 | 0.82 | TACR1 (0.66) | TACR1TACR3 | |
| SCHEMBL8545581 | 0.81 | TACR1 (0.72) | TACR1SLC6A4 | |
| SCHEMBL5216125 | 0.81 | TACR1 (1.00) | TACR1SLC6A4 | |
| SCHEMBL6494192 | 0.80 | TACR1 (0.59) | TACR1TACR3SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0739336-B1 | GEM-DISUBSTITUTED AZACYCLIC TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 1998-08-26 | — | — | EP | disclosed |
| US-5760018-A | Gem-disubstituted azacyclic tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 1998-06-02 | — | — | US | disclosed |
| WO-1995019344-A1 | GEM-DISUBSTITUTED AZACYCLIC TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-07-20 | — | — | WO | disclosed |