Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 7/20 | 0.39 |
| ▸ | SLC6A7 | Q99884 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18529794 | 0.81 | PAK4 (0.48) | PAK4NAMPTPAK1TDO2HDAC3 | |
| SCHEMBL18529792 | 0.80 | PAK4 (0.42) | PAK4NAMPTPAK1HDAC3HDAC1 | |
| SCHEMBL19066884 | 0.80 | PAK4 (0.52) | PAK4NAMPTPAK1HDAC3HDAC1 | |
| SCHEMBL17844708 | 0.80 | PAK4 (0.42) | PAK4NAMPTPAK1HDAC3HDAC1 | |
| SCHEMBL18529784 | 0.80 | PAK4 (0.49) | PAK4NAMPTPAK1TDO2HDAC3 | |
| SCHEMBL17844683 | 0.77 | PAK4 (0.41) | PAK4NAMPTPAK1HSD11B1SLC6A7 | |
| SCHEMBL18530503 | 0.76 | PAK4 (0.41) | PAK4NAMPTPAK1TDO2HDAC3 | |
| SCHEMBL18541372 | 0.75 | PAK4 (0.46) | PAK4NAMPTPAK1HDAC3HDAC1 | |
| SCHEMBL21166248 | 0.74 | SLC6A7 (0.57) | HSD11B1GPR183SLC6A7MEN1KMT2A | |
| SCHEMBL19066871 | 0.74 | PAK4 (0.45) | PAK4NAMPTPAK1TDO2HSD11B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017031204-A1 | CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS | Karyopharm Therapeutics Inc. (US) | 2017-02-23 | — | — | WO | disclosed |