Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 20/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 20/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | EIF4E | P06730 | 3/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16620317 | 0.88 | MKNK1 (0.65) | MKNK1MKNK2CYP3A4EIF4E | |
| SCHEMBL16620516 | 0.84 | MKNK1 (0.49) | MKNK1MKNK2CYP3A4EIF4E | |
| SCHEMBL16621052 | 0.83 | EPHB3 (0.42) | MKNK1MKNK2CYP3A4EIF4E | |
| SCHEMBL16620756 | 0.73 | MKNK1 (0.42) | MKNK1MKNK2CYP3A4EIF4E | |
| SCHEMBL16304125 | 0.72 | MKNK1 (0.66) | MKNK1MKNK2CYP3A4 | |
| SCHEMBL15286312 | 0.72 | MKNK1 (0.83) | MKNK1MKNK2CYP3A4EIF4E | |
| SCHEMBL24520117 | 0.72 | MKNK1 (0.61) | MKNK1MKNK2CYP3A4EIF4E | |
| SCHEMBL16620978 | 0.72 | MKNK1 (0.61) | MKNK1MKNK2CYP3A4EIF4E | |
| SCHEMBL16621013 | 0.72 | MKNK1 (0.61) | MKNK1MKNK2CYP3A4EIF4E | |
| SCHEMBL17969544 | 0.71 | TGFBR1 (0.39) | — |
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-3052501-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | Agency For Science, Technology And Research (SG) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015050505-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2015-04-09 | — | — | WO | disclosed |