Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 4/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3842549 | 1.00 | CYP1A2 (0.35) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12535565 | 0.76 | NOS3 (0.46) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5748850 | 0.76 | ENPP2 (0.37) | CYP1A2ALDH1A1CYP2C19HSD17B10MEN1 | |
| SCHEMBL5747919 | 0.76 | HCAR3 (0.31) | — | |
| SCHEMBL22445288 | 0.74 | UHRF1 (0.48) | CYP1A2 | |
| SCHEMBL29951379 | 0.74 | UHRF1 (0.48) | CYP1A2 | |
| SCHEMBL5768702 | 0.73 | RXRA (0.33) | ALDH1A1 | |
| SCHEMBL2725352 | 0.71 | CYP3A4 (0.34) | CYP3A4CYP2C19 | |
| SCHEMBL21262370 | 0.71 | MEN1 (0.41) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1459842 | 0.71 | ALDH1A1 (0.36) | ALDH1A1CYP3A4 |
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 |