Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | ROS1 | P08922 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.41 |
| ▸ | PRKCG | P05129 | 2/20 | 0.41 |
| ▸ | PRKCB | P05771 | 2/20 | 0.41 |
| ▸ | PRKCA | P17252 | 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 | |
|---|---|---|---|---|
| SCHEMBL1828134 | 1.00 | CYP3A4 (0.49) | CYP3A4CYP2D6LMNAHTTCYP1A2 | |
| SCHEMBL14893841 | 0.86 | TNF (0.45) | CYP3A4CYP2D6LMNAHTTCYP1A2 | |
| SCHEMBL4234344 | 0.83 | HTT (0.46) | CYP3A4CYP2D6LMNAHTTCYP1A2 | |
| SCHEMBL4022156 | 0.83 | IMPDH2 (0.54) | CYP3A4CYP2D6LMNAHTTCYP1A2 | |
| SCHEMBL6597218 | 0.80 | CYP3A4 (0.53) | CYP3A4CYP2D6LMNAHTTCYP1A2 | |
| SCHEMBL2627867 | 0.80 | LMNA (0.53) | CYP3A4CYP2D6LMNAHTTCYP1A2 | |
| SCHEMBL720557 | 0.77 | CYP1A2 (0.52) | CYP2D6HTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6965122 | 0.77 | CYP3A4 (0.50) | CYP3A4CYP2D6LMNAHTTCYP1A2 | |
| SCHEMBL13061714 | 0.77 | ERN1 (0.44) | CYP3A4CYP2D6LMNAHTTCYP1A2 | |
| SCHEMBL30098481 | 0.77 | CYP3A4 (0.58) | CYP3A4CYP2D6LMNAHTTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |