Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.65 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.65 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.65 |
| ▸ | CDK2 | P24941 | 3/20 | 0.65 |
| ▸ | SLC29A1 | Q99808 | 6/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | PI4KA | P42356 | 1/20 | 0.46 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.46 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.46 |
| ▸ | PI4KB | Q9UBF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL18457705 | 0.83 | CYP2C19 (0.52) | CDK1CCNB1CCNE1CDK2SLC29A1 | |
| SCHEMBL10405081 | 0.80 | HIF1A (0.54) | CDK1CCNB1CCNE1CDK2SLC29A1 | |
| SCHEMBL16769794 | 0.79 | CDK1 (0.61) | CDK1CCNB1CCNE1CDK2SLC29A1 | |
| SCHEMBL8767031 | 0.79 | CCNE1 (1.00) | CDK1CCNB1CCNE1CDK2SLC29A1 | |
| SCHEMBL7590083 | 0.78 | CYP2C19 (0.51) | CDK1CCNB1CCNE1CDK2SLC29A1 | |
| SCHEMBL19829082 | 0.78 | CCNE1 (0.73) | CDK1CCNB1CCNE1CDK2SLC29A1 | |
| SCHEMBL7898352 | 0.77 | CYP2C19 (0.47) | CDK1CCNB1CCNE1CDK2SLC29A1 | |
| SCHEMBL10404621 | 0.77 | SLC29A1 (0.49) | CDK1CCNB1CCNE1CDK2SLC29A1 | |
| SCHEMBL7900014 | 0.76 | CYP2C19 (0.47) | CDK1CCNB1CCNE1CDK2SLC29A1 | |
| SCHEMBL17860490 | 0.76 | CCNE1 (0.71) | CDK1CCNB1CCNE1CDK2SLC29A1 |
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 |