Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.67 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.47 |
| ▸ | TFEB | P19484 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3567982 | 0.85 | ABCG2 (0.71) | ABCG2CYP1A1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL3567978 | 0.85 | ABCG2 (0.71) | ABCG2CYP1A1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL16265418 | 0.83 | ABCG2 (0.69) | ABCG2CYP1A1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL16265416 | 0.83 | ABCG2 (0.69) | ABCG2CYP1A1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL16587940 | 0.83 | ABCG2 (0.69) | ABCG2CYP1A1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL6776970 | 0.81 | ABCG2 (0.67) | ABCG2CYP1A1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL3207731 | 0.81 | NFE2L2 (0.67) | ABCG2CYP1A1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL6776974 | 0.81 | ABCG2 (0.67) | ABCG2CYP1A1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL7954649 | 0.81 | ABCG2 (0.67) | ABCG2CYP1A1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL3207710 | 0.81 | NFE2L2 (0.67) | ABCG2CYP1A1CYP1A2CYP2D6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2620436-B1 | SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG | SHIONOGI & CO (JP) | 2018-05-09 | — | — | EP | disclosed |