Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 3/20 | 0.54 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | AGPAT2 | O15120 | 7/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL28043809 | 0.87 | NUDT1 (0.71) | NUDT1HRH4HRH3AURKAPDPK1 | |
| SCHEMBL17315298 | 0.86 | NUDT1 (0.73) | NUDT1HRH4HRH3AURKAPDPK1 | |
| SCHEMBL15757008 | 0.85 | NUDT1 (0.56) | NUDT1HRH4HRH3AURKAPDPK1 | |
| SCHEMBL28267202 | 0.84 | NUDT1 (0.53) | NUDT1HRH4HRH3AURKAPDPK1 | |
| SCHEMBL28043914 | 0.80 | HSP90AA1 (0.67) | NUDT1HSP90AA1HSP90AB1 | |
| SCHEMBL17413783 | 0.80 | NUDT1 (0.56) | NUDT1HRH4AURKAPDPK1TGFBR1 | |
| SCHEMBL28043730 | 0.79 | NUDT1 (0.53) | NUDT1HRH4AGPAT2HSP90AA1HSP90AB1 | |
| SCHEMBL28267599 | 0.79 | NUDT1 (0.48) | NUDT1HRH4HRH3AGPAT2HSP90AA1 | |
| SCHEMBL28043729 | 0.79 | NUDT1 (0.53) | NUDT1HRH4AGPAT2HSP90AA1HSP90AB1 | |
| SCHEMBL28267166 | 0.77 | CA1 (0.49) | NUDT1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105143206-B | Pyrimidine -2,4- diamine derivative for treating cancer | 托马斯·黑勒戴药物研究基金会 | 2019-01-15 | — | — | CN | disclosed |
| CN-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |