Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 2/20 | 0.59 |
| ▸ | NAMPT | P43490 | 1/20 | 0.59 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.59 |
| ▸ | GPR183 | P32249 | 4/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 9/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18530567 | 1.00 | PAK4 (0.59) | PAK4NAMPTPAK1GPR183LRRK2 | |
| SCHEMBL18542110 | 0.90 | PAK4 (0.59) | PAK4NAMPTPAK1GPR183LRRK2 | |
| SCHEMBL18542053 | 0.90 | PAK4 (0.59) | PAK4NAMPTPAK1GPR183LRRK2 | |
| SCHEMBL18530616 | 0.85 | PAK4 (0.67) | PAK4NAMPTPAK1GPR183HTR1A | |
| SCHEMBL18530617 | 0.85 | PAK4 (0.67) | PAK4NAMPTPAK1GPR183HTR1A | |
| SCHEMBL18530588 | 0.82 | PAK4 (0.76) | PAK4NAMPTPAK1GPR183KCNH2 | |
| SCHEMBL18530590 | 0.82 | PAK4 (0.76) | PAK4NAMPTPAK1GPR183KCNH2 | |
| SCHEMBL18530611 | 0.82 | PAK4 (0.62) | PAK4NAMPTPAK1HPGDGAA | |
| SCHEMBL18530610 | 0.82 | PAK4 (0.62) | PAK4NAMPTPAK1HPGDGAA | |
| SCHEMBL18530545 | 0.82 | HTR1A (0.35) | PAK4NAMPTPAK1LRRK2HTR1A |
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 |