Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 SCHEMBL8919189 | 0.99 | TACR1 (0.58) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6493725 | 0.85 | TACR1 (0.44) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8923334 | 0.84 | TACR1 (0.57) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8922068 | 0.83 | TACR1 (0.56) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6484245 | 0.83 | TACR1 (0.42) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6484240 | 0.83 | TACR1 (0.42) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6493781 | 0.79 | TACR1 (0.58) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6493775 | 0.79 | TACR1 (0.58) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6930767 | 0.76 | OPRM1 (0.41) | TACR1 | |
| SCHEMBL1388632 | 0.75 | TACR1 (0.60) | 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 3 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 |
| WO-1995004042-A1 | 4-PHENYL-4-PHENYLPROPYL(ENYL)-PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-02-09 | — | — | WO | disclosed |