Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 10/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 10/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.40 |
| ▸ | EIF4E | P06730 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16620733 | 0.94 | CFTR (0.41) | CFTRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL16620625 | 0.91 | MKNK1 (0.40) | CFTRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL16620371 | 0.91 | CFTR (0.43) | CFTRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL17969580 | 0.89 | CFTR (0.43) | CFTRMKNK1MKNK2CYP3A4DYRK2 | |
| SCHEMBL16621188 | 0.89 | CFTR (0.43) | CFTRMKNK1MKNK2CYP3A4DYRK2 | |
| SCHEMBL16620506 | 0.89 | MKNK1 (0.39) | CFTRMKNK1MKNK2CYP3A4DYRK2 | |
| SCHEMBL16620198 | 0.87 | MKNK1 (0.38) | CFTRMKNK1MKNK2CYP3A4DYRK2 | |
| SCHEMBL17998768 | 0.86 | MKNK2 (0.51) | MKNK1MKNK2CYP3A4EIF4E | |
| SCHEMBL16620432 | 0.85 | MKNK1 (0.47) | MKNK1MKNK2CYP3A4EIF4EAKT1 | |
| SCHEMBL16620756 | 0.84 | MKNK1 (0.42) | CFTRMKNK1MKNK2CYP3A4EIF4E |
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 |