Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydroquinone SCHEMBL28352613 | 0.93 | CYP2A6 (0.77) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| Resorcinol SCHEMBL28870706 | 0.89 | CYP2A6 (0.71) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| Hydroquinone SCHEMBL29036348 | 0.88 | CYP2A6 (0.63) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| Methyl Alcohol SCHEMBL5219669 | 0.86 | CYP2A6 (0.90) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL29253594 | 0.86 | CYP2A6 (0.90) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL12344941 | 0.86 | CYP2A6 (0.89) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL29903166 | 0.86 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL7517852 | 0.86 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL10684163 | 0.86 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL3075 | 0.86 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 |
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-102712748-A | Isosorbide-based polycarbonates, method of making, and articles formed therefrom | SABIC INNOVATIVE PLASTICS IP | 2012-10-03 | — | — | CN | disclosed |