Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | USP2 | O75604 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 7/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | KRAS | P01116 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22296239 | 0.92 | USP2 (0.45) | CYP3A4CYP2D6CYP2C19HSD17B10USP2 | |
| SCHEMBL16380252 | 0.90 | USP2 (0.44) | CYP3A4CYP2D6CYP2C19HSD17B10USP2 | |
| SCHEMBL19909654 | 0.88 | USP2 (0.41) | CYP3A4CYP2D6CYP2C19HSD17B10USP2 | |
| SCHEMBL24542942 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C19HSD17B10USP2 | |
| SCHEMBL16078760 | 0.83 | USP2 (0.42) | CYP3A4CYP2D6HSD17B10USP2TSHR | |
| SCHEMBL29724136 | 0.83 | GRM5 (0.47) | CYP3A4CYP2D6USP2CYP2C9CYP1A2 | |
| SCHEMBL29724127 | 0.79 | TET3 (0.38) | CYP3A4CYP2D6CYP2C9CYP1A2ALDH1A1 | |
| SCHEMBL29724137 | 0.79 | GRM5 (0.38) | CYP2D6CYP2C9CYP1A2ALDH1A1 | |
| SCHEMBL19889017 | 0.78 | HSD11B1 (0.46) | USP2 | |
| SCHEMBL25228712 | 0.78 | JAK3 (0.43) | CYP2D6CYP2C19HSD17B10USP2CYP2C9 |
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-3689871-A1 | 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2020-08-05 | — | — | EP | disclosed |