Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 13/20 | 0.45 |
| ▸ | IDH2 | P48735 | 3/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28043979 | 1.00 | IDH1 (0.45) | IDH1IDH2AURKAPDPK1TGFBR1 | |
| SCHEMBL28265747 | 0.83 | AURKA (0.54) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28043929 | 0.77 | NUDT1 (0.51) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL15757138 | 0.76 | NUDT1 (0.63) | IDH1IDH2 | |
| SCHEMBL15757924 | 0.76 | NUDT1 (0.63) | IDH1IDH2 | |
| SCHEMBL28043946 | 0.76 | HRH4 (0.44) | IDH1IDH2HRH4 | |
| SCHEMBL15757365 | 0.76 | HRH4 (0.44) | IDH1IDH2HRH4 | |
| SCHEMBL15757061 | 0.76 | HRH4 (0.44) | IDH1IDH2HRH4 | |
| SCHEMBL28824469 | 0.75 | NUDT1 (0.55) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28043981 | 0.75 | NUDT1 (0.58) | AURKAPDPK1TGFBR1AURKBHRH4 |
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 |