Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 7/20 | 0.55 |
| ▸ | WNT3A | P56704 | 7/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21441263 | 0.88 | CTNNB1 (0.67) | CTNNB1WNT3AROCK2METTL3TRPA1 | |
| SCHEMBL21441262 | 0.86 | CTNNB1 (0.66) | CTNNB1WNT3AROCK2GSK3BESR1 | |
| SCHEMBL21441337 | 0.84 | ROCK2 (0.56) | CTNNB1WNT3AROCK2GSK3BAURKB | |
| SCHEMBL15980145 | 0.84 | CTNNB1 (0.78) | CTNNB1WNT3AMETTL3ESR1NPC1 | |
| SCHEMBL21441278 | 0.82 | CTNNB1 (0.51) | CTNNB1WNT3AGSK3BESR1TRPA1 | |
| SCHEMBL21441401 | 0.82 | CTNNB1 (0.53) | CTNNB1WNT3AROCK2GSK3BESR1 | |
| SCHEMBL21441283 | 0.81 | CTNNB1 (0.50) | CTNNB1WNT3AROCK2TRPA1 | |
| SCHEMBL21441365 | 0.80 | CTNNB1 (0.54) | CTNNB1WNT3AROCK2GSK3BESR1 | |
| SCHEMBL21441341 | 0.80 | CLK1 (0.51) | CTNNB1WNT3AROCK2GSK3BAURKB | |
| SCHEMBL21441407 | 0.80 | CTNNB1 (0.50) | CTNNB1WNT3AROCK2GSK3BAURKB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3206686-B1 | GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES | SAMUMED LLC (US) | 2019-10-09 | — | — | EP | disclosed |