Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1751841 | 0.71 | GPR3 (0.32) | ALDH1A1IMPDH2 | |
| SCHEMBL1429258 | 0.65 | ALDH1A1 (0.54) | ALDH1A1IMPDH2TRIM24TRIM33CYP2A6 | |
| SCHEMBL30776600 | 0.64 | GRM2 (0.32) | — | |
| SCHEMBL27791426 | 0.63 | CYP2A6 (0.45) | ALDH1A1IMPDH2TRIM24TRIM33CYP2A6 | |
| SCHEMBL28405624 | 0.63 | LMNA (0.50) | ALDH1A1TRIM24TRIM33CYP2A6 | |
| SCHEMBL672866 | 0.62 | CYP2A6 (0.41) | ALDH1A1IMPDH2CYP2A6 | |
| SCHEMBL22154475 | 0.61 | MEN1 (0.41) | CYP2A6 | |
| Tert-Butanol SCHEMBL28332186 | 0.61 | KMT2A (0.48) | ALDH1A1TRIM24TRIM33CYP2A6 | |
| Tert-Butanol SCHEMBL28150164 | 0.61 | KMT2A (0.48) | ALDH1A1TRIM24TRIM33CYP2A6 | |
| SCHEMBL645165 | 0.61 | CYP2A6 (0.40) | ALDH1A1IMPDH2CYP2A6 |
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 |