Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 20/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | TACR2 | P21452 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5170216 | 0.92 | TACR3 (0.59) | TACR3CYP3A4 | |
| SCHEMBL5171128 | 0.91 | TACR3 (0.62) | TACR3CYP3A4 | |
| SCHEMBL5172434 | 0.88 | TACR3 (0.57) | TACR3CYP3A4 | |
| SCHEMBL5173185 | 0.87 | TACR3 (0.57) | TACR3CYP3A4TACR2 | |
| SCHEMBL5171204 | 0.87 | TACR3 (0.52) | TACR3CYP3A4TACR2 | |
| SCHEMBL5172339 | 0.87 | TACR3 (0.55) | TACR3CYP3A4TACR2 | |
| SCHEMBL5172650 | 0.86 | TACR3 (0.56) | TACR3CYP3A4TACR2 | |
| SCHEMBL5171067 | 0.86 | TACR3 (0.63) | TACR3CYP3A4 | |
| SCHEMBL4905346 | 0.85 | TACR3 (0.81) | TACR3CYP3A4 | |
| SCHEMBL5173467 | 0.85 | TACR3 (0.60) | TACR3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1776344-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2007-04-25 | — | — | EP | claimed |
| WO-2006013393-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-02-09 | — | — | WO | claimed |
| EP-1776344-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006013393-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-02-09 | — | — | WO | disclosed |