Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.59 |
| ▸ | AURKA | O14965 | 2/20 | 0.59 |
| ▸ | PRKACA | P17612 | 1/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.59 |
| ▸ | KARS1 | Q15046 | 2/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | CHUK | O15111 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28237442 | 0.85 | KARS1 (0.54) | HSP90AA1AURKAPRKACAADORA2AKARS1 | |
| SCHEMBL4704184 | 0.82 | HSP90AA1 (0.53) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 | |
| SCHEMBL15939648 | 0.81 | HSP90AA1 (0.51) | HSP90AA1AURKAPRKACAADORA2AKARS1 | |
| SCHEMBL4708076 | 0.80 | HSP90AA1 (0.67) | HSP90AA1AURKAPRKACAADORA2AKARS1 | |
| SCHEMBL4202167 | 0.78 | HSP90AA1 (0.76) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 | |
| SCHEMBL16338646 | 0.78 | HSP90AA1 (0.48) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 | |
| SCHEMBL6764764 | 0.77 | HSP90AA1 (0.62) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 | |
| SCHEMBL481304 | 0.77 | PRKACA (0.62) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 | |
| SCHEMBL5229810 | 0.77 | HSP90AA1 (0.62) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 | |
| SCHEMBL23582311 | 0.77 | ROCK2 (0.52) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106170290-A | Substituted di-amino-pyrimidine based compound, combinations thereof and treatment method thereof | 西格诺药品有限公司 | 2016-11-30 | — | — | CN | disclosed |