Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | UTS2R | Q9UKP6 | 4/20 | 0.44 |
| ▸ | GPR88 | Q9GZN0 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28595878 | 0.95 | MTNR1A (0.46) | MTNR1AMTNR1BSLC6A3CYP2D6SLC6A2 | |
| SCHEMBL28601780 | 0.87 | KMT2A (0.50) | CYP2D6GPR88 | |
| SCHEMBL28918870 | 0.85 | GPR88 (0.53) | CYP2D6CYP3A4GPR88 | |
| SCHEMBL28604182 | 0.85 | GPR88 (0.53) | CYP2D6CYP3A4GPR88 | |
| SCHEMBL28600088 | 0.84 | SLC6A3 (0.43) | SLC6A3CYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL28596538 | 0.84 | TDP1 (0.43) | CYP2D6 | |
| SCHEMBL28609046 | 0.83 | L3MBTL1 (0.46) | GPR88 | |
| SCHEMBL28594122 | 0.83 | L3MBTL1 (0.46) | GPR88 | |
| SCHEMBL28608660 | 0.82 | L3MBTL1 (0.49) | UTS2RGPR88 | |
| SCHEMBL28596422 | 0.82 | KMT2A (0.43) | CYP2D6CYP3A4GPR88 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112898213-A | Polysubstituted 1, 3-diene supported ring compound and application thereof | 中国科学院上海药物研究所 | 2021-06-04 | — | — | CN | disclosed |