Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | LSS | P48449 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL29955697 | 0.83 | HSP90AA1 (0.33) | HSP90AB1HSP90AA1CYP2C9CYP2C19PDK1 | |
| SCHEMBL2560906 | 0.77 | HSP90AA1 (0.32) | HSP90AB1HSP90AA1CYP2C9CYP2C19PDK1 | |
| SCHEMBL15332632 | 0.76 | HSP90AA1 (0.30) | HSP90AB1HSP90AA1CYP2C9CYP2C19PDK1 | |
| SCHEMBL2561077 | 0.74 | HSP90AA1 (0.31) | HSP90AB1HSP90AA1CYP2C9CYP2C19PDK1 | |
| SCHEMBL578248 | 0.74 | HSP90AA1 (0.37) | HSP90AB1HSP90AA1CYP2C9CYP2C19PDK1 | |
| SCHEMBL29955953 | 0.73 | SMN1; SMN2 (0.50) | CYP2C9SLC6A4SLC6A3ALDH1A1LMNA | |
| SCHEMBL217981 | 0.72 | — | — | |
| SCHEMBL2557376 | 0.69 | SLC6A4 (0.37) | SLC6A4SLC6A3CES2CES1ALDH1A1 | |
| SCHEMBL1400848 | 0.69 | LMNA (0.42) | HSP90AB1HSP90AA1CYP2C9CYP2C19PDK1 | |
| SCHEMBL2557062 | 0.69 | HTT (0.40) | — |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |