Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.57 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2560938 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13 | |
| SCHEMBL29951287 | 0.84 | ALDH1A1 (0.53) | ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13 | |
| SCHEMBL342255 | 0.82 | ALDH1A1 (0.59) | ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13 | |
| SCHEMBL2557220 | 0.81 | CYP2A6 (0.52) | ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13 | |
| SCHEMBL15330157 | 0.78 | ALDH1A1 (0.44) | ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13 | |
| SCHEMBL13603931 | 0.76 | NPC1 (0.45) | ALDH1A1MAPTKDM4EGAAHPGD | |
| SCHEMBL13603918 | 0.75 | NPSR1 (0.44) | ALDH1A1MAPTGLAKMT2AMEN1 | |
| SCHEMBL17845859 | 0.75 | ALDH1A1 (0.59) | ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13 | |
| SCHEMBL29952124 | 0.75 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13 | |
| SCHEMBL29279286 | 0.74 | ALDH1A1 (0.69) | ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13 |
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 |