Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 17/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | DHODH | Q02127 | 3/20 | 0.55 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5171067 | 0.83 | TACR3 (0.63) | TACR3CYP3A4 | |
| SCHEMBL5172309 | 0.82 | TACR3 (0.62) | TACR3CYP3A4 | |
| SCHEMBL5169887 | 0.82 | TACR3 (0.74) | TACR3CYP3A4DHODH | |
| SCHEMBL5171128 | 0.82 | TACR3 (0.62) | TACR3CYP3A4 | |
| SCHEMBL4234242 | 0.82 | TACR3 (1.00) | TACR3CYP3A4KCNH2 | |
| SCHEMBL5173467 | 0.80 | TACR3 (0.60) | TACR3CYP3A4 | |
| SCHEMBL5170216 | 0.79 | TACR3 (0.59) | TACR3CYP3A4 | |
| SCHEMBL5171056 | 0.79 | TACR3 (0.75) | TACR3CYP3A4DHODH | |
| SCHEMBL5172202 | 0.79 | TACR3 (0.59) | TACR3CYP3A4 | |
| SCHEMBL4720751 | 0.79 | TACR3 (0.75) | TACR3CYP3A4KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1888530-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006120478-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-11-16 | — | — | WO | disclosed |