Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 8/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18530652 | 0.89 | PAK4 (0.38) | STAT3PAK4GABRA5HRH3FASN | |
| SCHEMBL18530520 | 0.84 | PAK4 (0.43) | STAT3PAK4GABRA5HRH3 | |
| SCHEMBL18317597 | 0.83 | PAK4 (0.42) | ATRSTAT3PAK4GABRA5HRH3 | |
| SCHEMBL18530603 | 0.83 | PAK4 (0.45) | STAT3PAK4GABRA5HRH3 | |
| SCHEMBL18530663 | 0.82 | HPGD (0.38) | ATRGABRA5 | |
| SCHEMBL18530595 | 0.82 | LRRK2 (0.37) | ATRSTAT3 | |
| SCHEMBL18317255 | 0.81 | ATR (0.38) | ATRSTAT3PAK4GABRA5HRH3 | |
| SCHEMBL18530607 | 0.80 | CCNC (0.37) | ATR | |
| SCHEMBL18542145 | 0.80 | PAK4 (0.43) | STAT3PAK4GABRA5HRH3 | |
| SCHEMBL18317673 | 0.78 | PAK4 (0.40) | STAT3PAK4GABRA5HRH3 |
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-3337796-A1 | 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS | Karyopharm Therapeutics, Inc. (US) | 2018-06-27 | — | — | EP | disclosed |
| WO-2017031213-A1 | 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS | Karyopharm Therapeutics Inc. (US) | 2017-02-23 | — | — | WO | disclosed |