Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RHOA | P61586 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | WNT1 | P04628 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.31 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17618882 | 0.86 | RHOA (0.42) | RHOAGSK3BDYRK1ACA2CA9 | |
| SCHEMBL19670212 | 0.86 | RHOA (0.45) | RHOAGSK3BDYRK1ACA2CA9 | |
| SCHEMBL17618883 | 0.85 | RHOA (0.40) | RHOAGSK3BDYRK1AWNT1CA2 | |
| SCHEMBL19865057 | 0.81 | RHOA (0.41) | RHOAGSK3BDYRK1AWNT1CA2 | |
| SCHEMBL19365614 | 0.81 | RHOA (0.35) | RHOAGSK3BDYRK1ACA2CA9 | |
| SCHEMBL19365667 | 0.80 | RHOA (0.43) | RHOAGSK3BDYRK1ACCR3BRD4 | |
| SCHEMBL19706098 | 0.78 | RAF1 (0.36) | RHOACA2CA9BRAF | |
| SCHEMBL19365224 | 0.78 | RHOA (0.35) | RHOACA2CA9HTR2CCYP1A2 | |
| SCHEMBL17624583 | 0.77 | RHOA (0.37) | RHOAGSK3BDYRK1ACCR3 | |
| SCHEMBL19365867 | 0.77 | RHOA (0.37) | RHOAGSK3BDYRK1ACCR3 |
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 |