Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 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 | |
|---|---|---|---|---|
| SCHEMBL19706079 | 0.91 | CA12 (0.40) | CTSKKCNH2CA12CA1CA2 | |
| SCHEMBL19365828 | 0.89 | CA12 (0.46) | CTSKKCNH2CA12CA1CA2 | |
| SCHEMBL19670398 | 0.85 | CTSK (0.38) | CTSKKCNH2CA12CA1CA2 | |
| SCHEMBL19706158 | 0.83 | NAMPT (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19NAMPT | |
| SCHEMBL19706248 | 0.83 | NAMPT (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19KMO | |
| SCHEMBL19365636 | 0.82 | POLB (0.46) | CA12CA1CA2CA9EPHB4 | |
| SCHEMBL19365391 | 0.82 | DGAT2 (0.42) | ITGB3ITGA2BKMO | |
| SCHEMBL19365572 | 0.80 | BLM (0.45) | — | |
| SCHEMBL19364862 | 0.80 | MAP4K4 (0.45) | CTSKKCNH2 | |
| SCHEMBL19365753 | 0.79 | CA12 (0.41) | CTSKKCNH2CA12CA1CA2 |
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-9765075-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-09-19 | — | — | US | disclosed |