Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.54 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.50 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.49 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4373709 | 0.81 | KIT (0.49) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL14506746 | 0.80 | MKNK1 (0.61) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL3967350 | 0.80 | ALDH1A1 (0.44) | HTR6CYP3A4ALDH1A1TNIKMEN1 | |
| SCHEMBL24385121 | 0.78 | HTR6 (0.49) | MKNK1MKNK2HTR6CYP2A6CYP3A4 | |
| SCHEMBL18934066 | 0.78 | HTR6 (0.49) | HTR6ALDH1A1KIF11 | |
| SCHEMBL13036623 | 0.78 | CYP2A6 (0.62) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL2665947 | 0.76 | MKNK1 (0.56) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL29898220 | 0.76 | ALDH1A1 (0.61) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL28857629 | 0.76 | ALDH1A1 (0.61) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL24534337 | 0.76 | SLC2A1 (0.68) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 |
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-2009133127-A1 | FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS | MERCK SERONO S.A. (CH) | 2009-11-05 | — | — | WO | disclosed |