Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.41 |
| ▸ | FASN | P49327 | 5/20 | 0.40 |
| ▸ | SLC6A7 | Q99884 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18530622 | 0.92 | FASN (0.38) | PAK4NAMPTPAK1FASNMEN1 | |
| SCHEMBL18530486 | 0.87 | SLC6A7 (0.42) | FASNSLC6A7MEN1KMT2AALDH1A1 | |
| SCHEMBL19066884 | 0.83 | PAK4 (0.52) | PAK4NAMPTPAK1FASNSLC6A7 | |
| SCHEMBL18530519 | 0.81 | PAK4 (0.47) | PAK4NAMPTPAK1FASNSLC6A7 | |
| SCHEMBL19066867 | 0.80 | PAK4 (0.49) | PAK4NAMPTPAK1FASNSLC6A7 | |
| SCHEMBL19066871 | 0.78 | PAK4 (0.45) | PAK4NAMPTPAK1FASNSLC6A7 | |
| SCHEMBL18530652 | 0.77 | PAK4 (0.38) | PAK4FASNCNR1SMN1; SMN2 | |
| SCHEMBL18530546 | 0.76 | HPGD (0.35) | KMT2ACNR1MAPTSMN1; SMN2 | |
| SCHEMBL18530607 | 0.76 | CCNC (0.37) | DPP4DPP7 | |
| SCHEMBL18542169 | 0.76 | PAK4 (0.46) | PAK4NAMPTPAK1FASNHDAC3 |
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 3 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-2017117447-A1 | MULTICYCLIC COMPOUNDS AND USES THEREOF | Karyopharm Therapeutics Inc. (US) | 2017-07-06 | — | — | WO | 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 |