Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.67 |
| ▸ | SLC29A1 | Q99808 | 6/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | PNP | P00491 | 1/20 | 0.43 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17595248 | 0.81 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL17595442 | 0.78 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL7209433 | 0.71 | ALDH1A1 (0.66) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL7211257 | 0.69 | PDE4A (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL5460049 | 0.67 | HSP90AA1 (0.49) | YTHDC1ADORA2A | |
| SCHEMBL7204383 | 0.67 | PDE4A (0.62) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL2965769 | 0.67 | SLC29A1 (1.00) | SLC29A1 | |
| SCHEMBL31732889 | 0.66 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL5045749 | 0.66 | SLC29A1 (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL183057 | 0.65 | YTHDC1 (0.68) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016038562-A1 | THIOGUANINE DERIVATIVES | MALAYSIAN INSTITUTE OF PHARMACEUTICALS AND NUTRACEUTICALS (MY) | 2016-03-17 | — | — | WO | claimed |
| WO-2016038562-A1 | THIOGUANINE DERIVATIVES | MALAYSIAN INSTITUTE OF PHARMACEUTICALS AND NUTRACEUTICALS (MY) | 2016-03-17 | — | — | WO | disclosed |