Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 4/20 | 0.53 |
| ▸ | TPH1 | P17752 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | PFKFB3 | Q16875 | 4/20 | 0.40 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | LDHB | P07195 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL28043730 | 1.00 | NUDT1 (0.53) | NUDT1TPH1MAPK14HSP90AA1HSP90AB1 | |
| SCHEMBL28267202 | 0.88 | NUDT1 (0.53) | NUDT1MAPK14HSP90AA1HSP90AB1AGPAT2 | |
| SCHEMBL17325533 | 0.85 | NUDT1 (0.56) | NUDT1TPH1MAPK14HSP90AA1HSP90AB1 | |
| SCHEMBL22839471 | 0.85 | NUDT1 (0.56) | NUDT1TPH1MAPK14HSP90AA1HSP90AB1 | |
| SCHEMBL15757433 | 0.85 | NUDT1 (0.56) | NUDT1TPH1MAPK14HSP90AA1HSP90AB1 | |
| SCHEMBL28043809 | 0.81 | NUDT1 (0.71) | NUDT1HSP90AA1HSP90AB1AGPAT2HRH4 | |
| SCHEMBL28043763 | 0.79 | NUDT1 (0.54) | NUDT1HSP90AA1HSP90AB1AGPAT2HRH4 | |
| SCHEMBL28267599 | 0.78 | NUDT1 (0.48) | NUDT1MAPK14HSP90AA1HSP90AB1AGPAT2 | |
| SCHEMBL20878223 | 0.75 | NUDT1 (0.88) | NUDT1TPH1HRH4HTR7MAP4K4 | |
| SCHEMBL17560838 | 0.75 | NUDT1 (0.88) | NUDT1TPH1HRH4HTR7MAP4K4 |
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 | claimed |
| 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 |