Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 5/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.43 |
| ▸ | CLK2 | P49760 | 5/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.43 |
| ▸ | CLK1 | P49759 | 4/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 4/20 | 0.43 |
| ▸ | CLK3 | P49761 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL28043969 | 0.91 | AURKA (0.43) | TGFBR1AURKBAURKAPDPK1CLK2 | |
| SCHEMBL15757718 | 0.81 | NUDT1 (0.54) | TGFBR1AURKBCLK2DYRK1ACLK4 | |
| SCHEMBL28151194 | 0.76 | NPC1 (0.49) | TGFBR1AURKBAURKAPDPK1MAPK1 | |
| SCHEMBL28043938 | 0.74 | PTGS2 (0.54) | — | |
| SCHEMBL28152251 | 0.74 | CA1 (0.55) | RAB9A | |
| SCHEMBL15757372 | 0.73 | NUDT1 (0.54) | TGFBR1AURKBAURKAPDPK1CLK2 | |
| SCHEMBL17413739 | 0.73 | AURKB (0.61) | TGFBR1AURKBAURKAPDPK1CLK2 | |
| SCHEMBL28151149 | 0.73 | HRH4 (0.64) | TGFBR1AURKBAURKAPDPK1CYP2D6 | |
| SCHEMBL2598559 | 0.72 | CLK4 (0.50) | TGFBR1AURKBAURKACLK2DYRK1A | |
| SCHEMBL28151182 | 0.72 | HRH4 (0.52) | ALDH1A1HRH4 |
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 3 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-106794181-A | MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions | 托马斯·黑勒戴药物研究基金会 | 2017-05-31 | — | — | 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 |