Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.54 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.54 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.54 |
| ▸ | HRH4 | Q9H3N8 | 11/20 | 0.50 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.50 |
| ▸ | HEXA | P06865 | 1/20 | 0.43 |
| ▸ | HEXB | P07686 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 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 | |
|---|---|---|---|---|
| SCHEMBL28151149 | 0.89 | HRH4 (0.64) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28043930 | 0.84 | HRH4 (0.55) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28267199 | 0.84 | TLR8 (0.65) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28043722 | 0.83 | NUDT1 (0.48) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28267183 | 0.83 | HRH4 (0.47) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28152094 | 0.83 | HRH4 (0.54) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28845266 | 0.83 | CYP2D6 (0.55) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28265692 | 0.82 | HRH4 (0.46) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28043727 | 0.82 | HRH4 (0.56) | AURKAPDPK1TGFBR1AURKBHRH4 | |
| SCHEMBL28043765 | 0.81 | NUDT1 (0.53) | 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 |