Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGPAT2 | O15120 | 18/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043958 | 0.87 | NUDT1 (0.54) | AGPAT2 | |
| SCHEMBL15757097 | 0.85 | AGPAT2 (0.69) | AGPAT2AURKAPDPK1TGFBR1AURKB | |
| SCHEMBL28043953 | 0.83 | ALDH1A1 (0.50) | AGPAT2CDK9SMN1; SMN2 | |
| SCHEMBL28043753 | 0.80 | NUDT1 (0.58) | AGPAT2AURKAPDPK1TGFBR1AURKB | |
| SCHEMBL28043754 | 0.79 | HSP90AB1 (0.62) | AGPAT2KDM4ECDK9CDK5SMN1; SMN2 | |
| SCHEMBL28043937 | 0.78 | NUDT1 (0.53) | AGPAT2AURKAPDPK1TGFBR1AURKB | |
| SCHEMBL13880351 | 0.77 | AGPAT2 (0.72) | AGPAT2NPC1RAB9A | |
| SCHEMBL28265870 | 0.76 | MRGPRX1 (0.53) | KDM4ESMN1; SMN2 | |
| SCHEMBL28043763 | 0.76 | NUDT1 (0.54) | AGPAT2AURKAPDPK1TGFBR1AURKB | |
| SCHEMBL17315298 | 0.74 | NUDT1 (0.73) | AGPAT2AURKAPDPK1TGFBR1AURKB |
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 2 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-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |