Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 20/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TACR2 | P21452 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720751 | 0.87 | TACR3 (0.75) | TACR3KCNH2CYP3A4TACR2OPRM1 | |
| SCHEMBL4230281 | 0.87 | TACR3 (0.77) | TACR3KCNH2CYP3A4 | |
| SCHEMBL5435657 | 0.81 | TACR3 (0.49) | TACR3KCNH2TACR2OPRM1 | |
| SCHEMBL4717791 | 0.77 | TACR3 (0.58) | TACR3KCNH2CYP3A4 | |
| SCHEMBL4720167 | 0.75 | TACR3 (0.69) | TACR3KCNH2CYP3A4 | |
| SCHEMBL4232880 | 0.74 | TACR3 (1.00) | TACR3KCNH2CYP3A4TACR2OPRM1 | |
| SCHEMBL4234409 | 0.71 | TACR3 (0.84) | TACR3KCNH2CYP3A4TACR2 | |
| SCHEMBL5418372 | 0.71 | DHODH (0.56) | — | |
| SCHEMBL4893649 | 0.71 | TACR2 (0.52) | TACR3KCNH2TACR2OPRM1 | |
| SCHEMBL5452376 | 0.70 | MEN1 (0.39) | TACR3KCNH2CYP3A4TACR2OPRM1 |
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 |