Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.70 |
| ▸ | AURKA | O14965 | 2/20 | 0.70 |
| ▸ | PRKACA | P17612 | 1/20 | 0.70 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 4/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | KMO | O15229 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.56 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.56 |
| ▸ | CDK2 | P24941 | 2/20 | 0.51 |
| ▸ | CHUK | O15111 | 1/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.51 |
| ▸ | SYK | P43405 | 1/20 | 0.51 |
| ▸ | JAK3 | P52333 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12821368 | 0.83 | HSP90AA1 (0.66) | HSP90AA1AURKAPRKACAADORA2ARAB9A | |
| SCHEMBL474287 | 0.83 | HSP90AA1 (0.66) | HSP90AA1AURKAPRKACAADORA2ARAB9A | |
| SCHEMBL2994671 | 0.83 | HSP90AA1 (0.66) | HSP90AA1AURKAPRKACAADORA2ARAB9A | |
| SCHEMBL3412705 | 0.83 | KMO (0.66) | HSP90AA1AURKAPRKACAADORA2ARAB9A | |
| SCHEMBL17200126 | 0.83 | HSP90AA1 (0.66) | HSP90AA1AURKAPRKACAADORA2ARAB9A | |
| SCHEMBL8313279 | 0.83 | HSP90AA1 (0.66) | HSP90AA1AURKAPRKACAADORA2ARAB9A | |
| SCHEMBL12176972 | 0.83 | HSP90AA1 (0.92) | HSP90AA1AURKAPRKACAADORA2ARAB9A | |
| SCHEMBL3454021 | 0.83 | KMO (0.60) | HSP90AA1AURKAPRKACAADORA2ARAB9A | |
| SCHEMBL15876512 | 0.83 | MEN1 (0.55) | HSP90AA1AURKAPRKACAADORA2ARAB9A | |
| SCHEMBL2684649 | 0.83 | HSP90AA1 (0.70) | HSP90AA1AURKAPRKACAADORA2ARAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111065635-A | Novel pyrimidine derivatives as MTH1 inhibitors | 无锡安万生物科技有限公司 | 2020-04-24 | — | — | CN | claimed |
| CN-111065635-B | Novel pyrimidine derivatives as MTH1 inhibitors | 无锡安万生物科技有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-111065635-A | Novel pyrimidine derivatives as MTH1 inhibitors | 无锡安万生物科技有限公司 | 2020-04-24 | — | — | CN | disclosed |
| WO-2019134082-A1 | NOVEL PYRIMIDINE DERIVATIVES AS MTH1 INHIBITORS | WUXI ADVANT BIOTECHNOLOGY CO., LTD. (CN) | 2019-07-11 | — | — | WO | disclosed |