Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | GLA | P06280 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15652269 | 0.79 | CYP2A6 (0.50) | CYP2A6KIF11ALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL28638636 | 0.79 | CYP2A6 (0.50) | CYP2A6KIF11ALDH1A1ALDH1A3 | |
| SCHEMBL16452861 | 0.79 | ALDH1A1 (0.49) | CYP2A6CYP2C19CYP1A2ALDH1A1HPGD | |
| SCHEMBL29713811 | 0.75 | RXFP1 (0.47) | CYP2A6CYP2C19CYP1A2TNKS2ALDH1A1 | |
| SCHEMBL1294597 | 0.75 | RXFP1 (0.47) | CYP2A6CYP2C19CYP1A2TNKS2ALDH1A1 | |
| Formic Acid SCHEMBL28972975 | 0.75 | CYP2A6 (0.42) | CYP2A6CYP2C19CYP1A2TNKS2ALDH1A1 | |
| SCHEMBL2957852 | 0.75 | ALDH1A1 (0.49) | CYP2A6ALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL15475106 | 0.74 | XDH (0.46) | CYP2A6KIF11CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL24037999 | 0.72 | ALDH1A1 (0.37) | CYP2C19CYP1A2TNKS2ALDH1A1HPGD | |
| SCHEMBL12113048 | 0.72 | ALDH1A1 (0.37) | CYP2C19CYP1A2TNKS2ALDH1A1HPGD |
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 |