Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | HSPA8 | P11142 | 2/20 | 0.41 |
| ▸ | GIGYF2 | Q6Y7W6 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.40 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.40 |
| ▸ | PSMD11 | O00231 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
| ▸ | RNF168 | Q8IYW5 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ITK | Q08881 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19365477 | 0.90 | CDK8 (0.45) | CDK8HSPA8GIGYF2TLR2TLR1 | |
| SCHEMBL21841336 | 0.80 | ITGB1 (0.48) | CDK8HSPA8GIGYF2TLR2TLR1 | |
| SCHEMBL19361185 | 0.79 | ITGB1 (0.46) | CDK8HSPA8GIGYF2TLR2TLR1 | |
| SCHEMBL19365793 | 0.79 | ITGB1 (0.46) | CDK8HSPA8GIGYF2TLR2TLR1 | |
| SCHEMBL19361184 | 0.79 | ITGB1 (0.46) | CDK8HSPA8TLR2TLR1PSMD11 | |
| SCHEMBL17624649 | 0.77 | CA12 (0.49) | CDK8HSPA8TLR2TLR1PSMD11 | |
| SCHEMBL16249966 | 0.77 | CA12 (0.49) | CDK8HSPA8TLR2TLR1PSMD11 | |
| SCHEMBL16775811 | 0.76 | CA12 (0.48) | CDK8HSPA8TLR2TLR1PSMD11 | |
| SCHEMBL19669552 | 0.75 | ITGB1 (0.47) | CDK8HSPA8GIGYF2TLR2TLR1 | |
| SCHEMBL19706003 | 0.72 | HDAC3 (0.40) | — |
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 |