Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 11/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 5/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5761752 | 0.82 | SMN1; SMN2 (0.42) | TACR1OPRK1GRIN2BCHRM4 | |
| SCHEMBL6280979 | 0.70 | GRIN2B (0.42) | GRIN2B | |
| SCHEMBL3075266 | 0.70 | TACR1 (0.50) | TACR1 | |
| SCHEMBL7994460 | 0.70 | FOLH1 (0.37) | OPRK1 | |
| SCHEMBL5201104 | 0.70 | EPHX1 (0.40) | CHRM4 | |
| SCHEMBL2199235 | 0.66 | TACR1 (0.41) | TACR1 | |
| SCHEMBL581462 | 0.64 | NOTUM (0.49) | TACR1 | |
| SCHEMBL6952343 | 0.64 | L3MBTL1 (0.49) | TACR1 | |
| SCHEMBL581110 | 0.63 | TACR1 (0.48) | TACR1 | |
| SCHEMBL206989 | 0.63 | TACR1 (0.46) | TACR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1414443-B1 | BENZIMIDAZO 4,5-f|ISOQUINOLINONE DERIVATIVES | MERCK & CO INC (US) | 2006-11-15 | — | — | EP | disclosed |