Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | HSPA8 | P11142 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.42 |
| ▸ | GIGYF2 | Q6Y7W6 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
| ▸ | PADI6 | Q6TGC4 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | PSMD11 | O00231 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21841336 | 0.94 | ITGB1 (0.48) | ITGB1ITGA4CDK8CA12CA1 | |
| SCHEMBL19365793 | 0.85 | ITGB1 (0.46) | ITGB1ITGA4CDK8CA12CA1 | |
| SCHEMBL19361185 | 0.85 | ITGB1 (0.46) | ITGB1ITGA4CDK8CA12CA1 | |
| SCHEMBL19361184 | 0.85 | ITGB1 (0.46) | ITGB1ITGA4CDK8CA12CA1 | |
| SCHEMBL19365797 | 0.80 | TP53 (0.38) | CA2CA9 | |
| SCHEMBL19865035 | 0.78 | CA2 (0.37) | CA2CA9 | |
| SCHEMBL19670572 | 0.78 | LMNA (0.35) | CA2CA9 | |
| SCHEMBL19365573 | 0.77 | CA2 (0.39) | CA2CA9 | |
| SCHEMBL19670249 | 0.76 | CA2 (0.42) | CA12CA1CA2CA9 | |
| SCHEMBL17624649 | 0.76 | CA12 (0.49) | ITGB1ITGA4CDK8CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9834558-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-12-05 | — | — | US | disclosed |