Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 5/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 4/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 4/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 1.00 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.63 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | SLC29A1 | Q99808 | 5/20 | 0.56 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.55 |
| ▸ | PNP | P00491 | 1/20 | 0.52 |
| ▸ | PI4KA | P42356 | 1/20 | 0.51 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.51 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.51 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.51 |
| ▸ | MPO | P05164 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17595442 | 0.81 | CYP1A2 (0.69) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL1640041 | 0.81 | PDE4A (0.69) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL17595155 | 0.81 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL6272417 | 0.80 | ALDH1A1 (0.66) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL7209433 | 0.80 | ALDH1A1 (0.66) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL5724169 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL30586356 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL30586350 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL25543494 | 0.77 | ADORA2A (0.70) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 | |
| SCHEMBL7806679 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2C19CYP2C9HIF1ACYP3A4 |
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 |