Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 3/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.47 |
| ▸ | CDK1 | P06493 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | GPR39 | O43194 | 1/20 | 0.36 |
| ▸ | KCNN2 | Q9H2S1 | 1/20 | 0.36 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043981 | 0.97 | NUDT1 (0.58) | NUDT1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL28043931 | 0.96 | NUDT1 (0.61) | NUDT1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL28043929 | 0.94 | NUDT1 (0.51) | NUDT1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL28151074 | 0.81 | SYK (0.44) | NUDT1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL28152230 | 0.81 | OPRK1 (0.41) | NUDT1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL15757234 | 0.79 | AURKA (0.58) | NUDT1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL15757748 | 0.79 | DYRK1A (0.56) | NUDT1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL15757620 | 0.77 | AURKA (0.59) | NUDT1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL28043765 | 0.77 | NUDT1 (0.53) | NUDT1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL28043941 | 0.76 | HRH4 (0.47) | HRH4GPR39 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |