Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 10/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9670965 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL3257311 | 0.85 | CYP2A6 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL29957704 | 0.85 | CYP2A6 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL16289909 | 0.81 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL6362144 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL29951294 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL1666511 | 0.78 | KIF11 (0.42) | CYP2A6ALDH1A1HSD17B10KIF11TDP1 | |
| SCHEMBL28131156 | 0.78 | KIF11 (0.42) | CYP2A6ALDH1A1HSD17B10KIF11TSHR | |
| SCHEMBL7720322 | 0.78 | CYP2A6 (0.50) | CYP1A2CYP2A6ALDH1A1HPGDKIF11 | |
| SCHEMBL5406345 | 0.77 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1HSD17B10KIF11 |
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 |