Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.76 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.76 |
| ▸ | AURKA | O14965 | 2/20 | 0.76 |
| ▸ | PRKACA | P17612 | 1/20 | 0.76 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.57 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.57 |
| ▸ | KMO | O15229 | 1/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.53 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.51 |
| ▸ | RAF1 | P04049 | 1/20 | 0.51 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.51 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.51 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 4/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | CHUK | O15111 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12176972 | 0.87 | HSP90AA1 (0.92) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL316210 | 0.87 | HSP90AA1 (1.00) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| Hydrochloric Acid SCHEMBL17186384 | 0.85 | HSP90AA1 (0.96) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL4708076 | 0.84 | HSP90AA1 (0.67) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL13977116 | 0.83 | HSP90AA1 (0.57) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL1448939 | 0.82 | HSP90AA1 (0.65) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL19781417 | 0.81 | MEN1 (0.54) | HSP90AA1ADORA2AAURKAPRKACAKMO | |
| SCHEMBL18134284 | 0.81 | KMT2A (0.58) | HSP90AA1ADORA2AAURKAPRKACAKMO | |
| SCHEMBL18731939 | 0.81 | KMT2A (0.58) | HSP90AA1ADORA2AAURKAPRKACAKMO | |
| SCHEMBL18134295 | 0.81 | KMT2A (0.58) | HSP90AA1ADORA2AAURKAPRKACAKMO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011136483-A1 | NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-11-03 | — | — | WO | disclosed |
| EP-2032543-A1 | 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES | Boehringer Ingelheim International GmbH (DE) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007146977-A1 | 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-12-21 | — | — | WO | disclosed |