Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL18530605 | 0.89 | ATR (0.39) | PAK4GABRA5HRH3FASNSTAT3 | |
| SCHEMBL18530579 | 0.83 | PAK4 (0.44) | PAK4GABRA5HRH3LRRK2FASN | |
| SCHEMBL16345168 | 0.82 | PAK4 (0.43) | PAK4GABRA5HRH3LRRK2HTR1A | |
| SCHEMBL18530650 | 0.82 | PAK4 (0.46) | PAK4GABRA5HRH3HTR1A | |
| SCHEMBL18530546 | 0.78 | HPGD (0.35) | LRRK2HTR1ACNR1HPGDNPC1 | |
| SCHEMBL18542112 | 0.78 | PAK4 (0.44) | PAK4GABRA5HRH3LRRK2HTR1A | |
| SCHEMBL18317673 | 0.78 | PAK4 (0.40) | PAK4GABRA5HRH3LRRK2HPGD | |
| SCHEMBL18317602 | 0.77 | GABRA5 (0.40) | PAK4GABRA5HRH3LRRK2HTR1A | |
| SCHEMBL18530486 | 0.77 | SLC6A7 (0.42) | FASNHTR1AHPGDHTTSMN1; SMN2 | |
| SCHEMBL18530503 | 0.77 | PAK4 (0.41) | PAK4FASNCNR1SMN1; SMN2 |
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 |