Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | RNF168 | Q8IYW5 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 4/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.32 |
| ▸ | PSMD11 | O00231 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16249966 | 0.93 | CA12 (0.49) | CA12CA1CA2CA9CDK8 | |
| SCHEMBL17624649 | 0.93 | CA12 (0.49) | CA12CA1CA2CA9CDK8 | |
| SCHEMBL16775811 | 0.92 | CA12 (0.48) | CA12CA1CA2CA9CDK8 | |
| SCHEMBL16238397 | 0.87 | AURKA (0.37) | AURKAALKAURKB | |
| SCHEMBL16238490 | 0.83 | AURKA (0.40) | AURKAALKAURKB | |
| SCHEMBL19361184 | 0.82 | ITGB1 (0.46) | CA12CA1CA2CA9CDK8 | |
| SCHEMBL16238555 | 0.81 | NOTUM (0.46) | AURKAALKAURKB | |
| SCHEMBL16249981 | 0.80 | HDAC3 (0.40) | CA12CA1CA2CA9AURKA | |
| SCHEMBL16249982 | 0.80 | AURKA (0.38) | CA12CA1CA2CA9AURKA | |
| SCHEMBL19365477 | 0.80 | CDK8 (0.45) | CA12CA1CA2CA9CDK8 |
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-2997029-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | Glaxosmithkline LLC (US) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014186313-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2014-11-20 | — | — | WO | disclosed |