Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 7/20 | 0.45 |
| ▸ | WNT3A | P56704 | 7/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21441187 | 0.86 | CTNNB1 (0.47) | CTNNB1WNT3AF2CYP1A2CYP3A4 | |
| SCHEMBL21441306 | 0.84 | CTNNB1 (0.49) | CTNNB1WNT3AF2CYP1A2CYP3A4 | |
| SCHEMBL21441223 | 0.82 | CTNNB1 (0.46) | CTNNB1WNT3AF2CYP1A2CYP3A4 | |
| SCHEMBL15980105 | 0.81 | CTNNB1 (0.66) | CTNNB1WNT3AF2HDAC1HDAC2 | |
| SCHEMBL21441268 | 0.81 | CTNNB1 (0.53) | CTNNB1WNT3AF2CYP1A2CYP3A4 | |
| SCHEMBL21441403 | 0.81 | CTNNB1 (0.49) | CTNNB1WNT3AMAPTRAB9AGAA | |
| SCHEMBL21441286 | 0.80 | CTNNB1 (0.64) | CTNNB1WNT3AF2CYP1A2CYP3A4 | |
| SCHEMBL21441280 | 0.79 | CTNNB1 (0.49) | CTNNB1WNT3AF2CYP1A2CYP3A4 | |
| SCHEMBL21441240 | 0.78 | CTNNB1 (0.36) | CTNNB1WNT3AMAPTRAB9AHDAC6 | |
| SCHEMBL21441381 | 0.78 | CYP1A2 (0.49) | CTNNB1WNT3AF2CYP1A2CYP3A4 |
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 |