Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 12/20 | 0.72 |
| ▸ | TACR1 | P25103 | 7/20 | 0.72 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL924943 | 0.86 | SLC6A4 (0.67) | SLC6A4TACR1SLC6A2SLC6A3KCNH2 | |
| SCHEMBL3035854 | 0.81 | SLC6A4 (0.50) | SLC6A4TACR1SLC6A2SLC6A3KCNH2 | |
| SCHEMBL8989455 | 0.81 | TACR1 (0.49) | SLC6A4TACR1SLC6A2SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL10977825 | 0.80 | TACR1 (0.48) | SLC6A4TACR1SLC6A2SLC6A3KCNH2 | |
| SCHEMBL8569723 | 0.79 | CHRM2 (0.70) | TACR1CHRM2CHRM3 | |
| SCHEMBL923866 | 0.79 | TACR1 (0.55) | SLC6A4TACR1SLC6A2SLC6A3KCNH2 | |
| SCHEMBL11571115 | 0.76 | TACR1 (0.45) | SLC6A4TACR1SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL3029477 | 0.75 | TACR1 (0.48) | SLC6A4TACR1SLC6A2SLC6A3KCNH2 | |
| SCHEMBL8989462 | 0.74 | TACR1 (0.46) | SLC6A4TACR1SLC6A2SLC6A3 | |
| SCHEMBL926471 | 0.71 | SLC6A4 (0.51) | SLC6A4TACR1SLC6A2SLC6A3KCNH2 |
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-0708101-B1 | Piperidine derivatives, useful as neurokinin receptor antagonists | ADIR (FR) | 1998-12-09 | — | — | EP | disclosed |
| US-5652246-A | NEUROKININ RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS | ADIR ET COMPAGNIE (FR) | 1997-07-29 | — | — | US | disclosed |
| EP-0708101-A1 | Novel piperidine derivatives, useful as neurokinin receptor antagonists | ADIR ET COMPAGNIE (FR) | 1996-04-24 | — | — | EP | disclosed |