Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | GSK3B | P49841 | 4/20 | 0.41 |
| ▸ | GSK3A | P49840 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8099294 | 0.88 | GSK3B (0.44) | MAPTGSK3BGSK3AL3MBTL1CDK1 | |
| SCHEMBL4400500 | 0.84 | GSK3B (0.39) | MAPTGSK3BGSK3AL3MBTL1CDK1 | |
| SCHEMBL6069366 | 0.83 | GSK3B (0.46) | MAPTGSK3BGSK3AL3MBTL1CDK1 | |
| SCHEMBL4669978 | 0.83 | MAPT (0.46) | MAPTGSK3BGSK3ACDK1CCNB2 | |
| SCHEMBL11651996 | 0.82 | PGK1 (0.50) | PGK1MAPTL3MBTL1KCNH2CACNA1C | |
| SCHEMBL15651049 | 0.82 | MAPT (0.39) | MAPTGSK3BGSK3AL3MBTL1CDK1 | |
| SCHEMBL7025561 | 0.81 | GSK3B (0.38) | MAPTGSK3BGSK3AL3MBTL1CDK1 | |
| SCHEMBL3603901 | 0.81 | MAPT (0.45) | MAPTGSK3BGSK3ACDK1CCNB2 | |
| SCHEMBL27611246 | 0.81 | GSK3B (0.42) | MAPTGSK3BGSK3AL3MBTL1CDK1 | |
| SCHEMBL15972357 | 0.81 | HRH3 (0.50) | GSK3BGSK3AKCNH2CDK1CCNB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1957078-B1 | PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE | BAYER HEALTHCARE LLC (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2137188-B1 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | Bayer Pharma AG (DE) | 2012-06-06 | — | — | EP | disclosed |