Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL1045965 | 0.86 | MELK (0.64) | ITGB3ITGA2B | |
| SCHEMBL3658561 | 0.86 | F2 (0.57) | ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL18491400 | 0.85 | ITGB3 (0.56) | ITGB3ITGA2B | |
| SCHEMBL17797703 | 0.84 | NPC1 (0.50) | ITGB3ITGA2B | |
| SCHEMBL17797501 | 0.84 | MELK (0.54) | ITGB3ITGA2B | |
| SCHEMBL29606520 | 0.84 | ITGB3 (0.54) | ITGB3ITGA2B | |
| SCHEMBL531907 | 0.84 | CYP1A2 (0.55) | ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL4761772 | 0.82 | ITGB3 (0.55) | ITGB3ITGA2B | |
| SCHEMBL531914 | 0.82 | NPC1 (0.66) | ITGB3 | |
| SCHEMBL4712303 | 0.81 | MEN1 (0.54) | ITGB3ITGA2B |
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-2668177-A1 | SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2013-12-04 | — | — | EP | disclosed |
| WO-2012101013-A1 | SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-02 | — | — | WO | disclosed |