Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RHOA | P61586 | 2/20 | 0.44 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | WNT1 | P04628 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.35 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19670333 | 1.00 | RHOA (0.44) | RHOADGAT2CCR3PRKCQCREBBP | |
| SCHEMBL19706086 | 0.88 | RHOA (0.46) | RHOADGAT2CCR3PRKCQCREBBP | |
| SCHEMBL16249989 | 0.88 | RHOA (0.46) | RHOADGAT2CCR3PRKCQCREBBP | |
| SCHEMBL19670606 | 0.88 | RHOA (0.46) | RHOADGAT2CCR3PRKCQCREBBP | |
| SCHEMBL19706152 | 0.88 | RHOA (0.46) | RHOADGAT2CCR3PRKCQCREBBP | |
| SCHEMBL19365682 | 0.88 | RHOA (0.46) | RHOADGAT2CCR3PRKCQCREBBP | |
| SCHEMBL19670612 | 0.87 | RHOA (0.45) | RHOADGAT2CCR3PRKCQCREBBP | |
| SCHEMBL20632824 | 0.87 | RHOA (0.45) | RHOADGAT2CCR3PRKCQCREBBP | |
| SCHEMBL16239267 | 0.87 | RHOA (0.45) | RHOADGAT2CCR3PRKCQCREBBP | |
| SCHEMBL16238216 | 0.87 | RHOA (0.45) | RHOADGAT2CCR3PRKCQCREBBP |
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 |