Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8558987 | 0.77 | TACR1 (0.61) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8546546 | 0.76 | TACR1 (0.61) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8546483 | 0.76 | TACR1 (0.64) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8539058 | 0.76 | TACR1 (0.53) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8541291 | 0.75 | TACR1 (0.55) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8540749 | 0.75 | TACR1 (0.60) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8546537 | 0.75 | TACR1 (0.52) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8560373 | 0.75 | TACR1 (0.63) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8545855 | 0.74 | TACR1 (0.54) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8558980 | 0.72 | TACR1 (0.54) | TACR1SLC6A4KCNH2 |
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 4 patents. 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 | claimed |
| EP-0739336-A1 | GEM-DISUBSTITUTED AZACYCLIC TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1996-10-30 | — | — | EP | claimed |
| US-5760018-A | Gem-disubstituted azacyclic tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 1998-06-02 | — | — | US | disclosed |
| EP-0739336-A1 | GEM-DISUBSTITUTED AZACYCLIC TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1996-10-30 | — | — | EP | disclosed |