Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 6/20 | 0.46 |
| ▸ | GSK3A | P49840 | 5/20 | 0.46 |
| ▸ | AURKA | O14965 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.39 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL3290941 | 0.80 | STK17A (0.76) | STK17AGSK3BGSK3AAURKAMAPT | |
| SCHEMBL3286605 | 0.80 | STK17A (0.74) | STK17AGSK3BGSK3AAURKAMAPT | |
| SCHEMBL1917655 | 0.79 | STK17A (0.73) | STK17AGSK3BGSK3AAURKAMAPT | |
| Hexanoate SCHEMBL3283574 | 0.78 | STK17A (0.52) | STK17AGSK3BGSK3AAURKAMAPT | |
| SCHEMBL1918297 | 0.78 | STK17A (0.72) | STK17AGSK3BGSK3AAURKAMAPT | |
| SCHEMBL3285412 | 0.77 | STK17A (0.53) | STK17AGSK3BGSK3AAURKAMAPT | |
| SCHEMBL3283585 | 0.76 | STK17A (0.53) | STK17AGSK3BGSK3AAURKAMAPT | |
| Butyric Acid SCHEMBL3290948 | 0.76 | STK17A (0.53) | STK17AGSK3BGSK3AAURKAMAPT | |
| SCHEMBL1917352 | 0.76 | MAPT (0.50) | STK17AGSK3BGSK3AAURKAMAPT | |
| SCHEMBL3284057 | 0.76 | GSK3B (0.58) | STK17AGSK3BGSK3AAURKAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2332924-A1 | Pyrimidine derivates, medicaments comprising them, their use and process of their preparation | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2011-06-15 | — | — | EP | disclosed |