Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 8/20 | 0.51 |
| ▸ | WNT3A | P56704 | 8/20 | 0.51 |
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | CLK3 | P49761 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL21441380 | 0.85 | CTNNB1 (0.52) | CTNNB1WNT3AESR1TRPA1NPC1 | |
| SCHEMBL21441262 | 0.84 | CTNNB1 (0.66) | CTNNB1WNT3AESR1NPC1JAK2 | |
| SCHEMBL21441263 | 0.83 | CTNNB1 (0.67) | CTNNB1WNT3ATRPA1RAB9A | |
| SCHEMBL21441307 | 0.82 | CTNNB1 (0.47) | CTNNB1WNT3AESR1TRPA1NPC1 | |
| SCHEMBL21441417 | 0.82 | CTNNB1 (0.55) | CTNNB1WNT3AESR1TRPA1NPC1 | |
| SCHEMBL21441313 | 0.82 | CTNNB1 (0.69) | CTNNB1WNT3ATRPA1 | |
| SCHEMBL21441359 | 0.82 | CTNNB1 (0.48) | CTNNB1WNT3AESR1TRPA1NPC1 | |
| SCHEMBL15980144 | 0.80 | CTNNB1 (0.74) | CTNNB1WNT3AESR1TRPA1NPC1 | |
| SCHEMBL21441365 | 0.78 | CTNNB1 (0.54) | CTNNB1WNT3AESR1NPC1JAK2 | |
| SCHEMBL21441367 | 0.78 | CTNNB1 (0.67) | CTNNB1WNT3ATRPA1NPC1RAB9A |
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 |