Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8924192 | 0.99 | TACR1 (0.97) | TACR1SLC6A4KCNH2 | |
| SCHEMBL1388633 | 0.81 | TACR1 (0.78) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8121377 | 0.81 | TACR1 (0.78) | TACR1SLC6A4KCNH2 | |
| SCHEMBL5794971 | 0.81 | TACR1 (0.77) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8113233 | 0.81 | TACR1 (0.77) | TACR1SLC6A4KCNH2 | |
| SCHEMBL1388428 | 0.79 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8824356 | 0.79 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8918915 | 0.79 | TACR1 (0.65) | TACR1SLC6A4KCNH2 | |
| SCHEMBL5796290 | 0.78 | TACR1 (0.80) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8922024 | 0.78 | TACR1 (0.63) | 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 |
|---|---|---|---|---|---|---|---|
| WO-1995004042-A1 | 4-PHENYL-4-PHENYLPROPYL(ENYL)-PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-02-09 | — | — | WO | claimed |
| US-5663352-A | 4-phenyl-4-phenylpropyl(enyl)-piperidines as tachykinin antagonists | MERCK SHARP & DOHME LIMITED (GB) | 1997-09-02 | — | — | US | disclosed |
| EP-0711281-A1 | 4-PHENYL-4-PHENYLPROPYL(ENYL)-PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004042-A1 | 4-PHENYL-4-PHENYLPROPYL(ENYL)-PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-02-09 | — | — | WO | disclosed |