Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.68 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.68 |
| ▸ | AURKA | O14965 | 1/20 | 0.68 |
| ▸ | PRKACA | P17612 | 1/20 | 0.68 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.49 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.48 |
| ▸ | RAF1 | P04049 | 1/20 | 0.48 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.48 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.48 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CDC7 | O00311 | 4/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 3/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL316210 | 0.82 | HSP90AA1 (1.00) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| Hydrochloric Acid SCHEMBL17186384 | 0.81 | HSP90AA1 (0.96) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL12176972 | 0.79 | HSP90AA1 (0.92) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| Morpholine SCHEMBL28866438 | 0.75 | HSP90AA1 (0.52) | HSP90AA1KDM4EALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL4466816 | 0.72 | CDK1 (0.66) | HSP90AA1ADORA2AAURKAPRKACARAB9A | |
| SCHEMBL27930338 | 0.71 | — | — | |
| SCHEMBL4202167 | 0.71 | HSP90AA1 (0.76) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL31112036 | 0.71 | PRKACA (0.50) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL29564396 | 0.70 | PIK3CA (0.52) | CDK1CDK2HRH3PIK3CDPIK3R1 | |
| Trifluoroacetic Acid SCHEMBL28137418 | 0.70 | HSP90AA1 (0.72) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 |
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-106316963-A | Polymorphic substances of morpholinophenylaminopyrimidine compound or salts thereof | 苏州泽璟生物制药有限公司 | 2017-01-11 | — | — | CN | disclosed |