Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11227756 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4CYP11B2CYP11B1 | |
| SCHEMBL10843843 | 0.78 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4MAPK1HSD17B10 | |
| SCHEMBL11248371 | 0.78 | CHEK1 (0.47) | ALDH1A1CYP1A2CYP3A4HSD17B10CLK4 | |
| SCHEMBL7285793 | 0.78 | CHEK1 (0.47) | ALDH1A1CYP1A2CYP3A4MAPK1HSD17B10 | |
| SCHEMBL11247724 | 0.76 | PIK3CD (0.44) | ALDH1A1CYP1A2CYP3A4CLK4KDM4E | |
| SCHEMBL15730158 | 0.74 | CYP11B2 (0.52) | CYP11B2CYP11B1ALOX5APFEN1MKNK1 | |
| SCHEMBL11242985 | 0.73 | CCNC (0.52) | ALDH1A1CYP1A2CYP3A4MAPK1HSD17B10 | |
| SCHEMBL11240500 | 0.73 | KDM4E (0.39) | ALDH1A1CYP1A2CYP3A4MAPK1HSD17B10 | |
| SCHEMBL31023872 | 0.72 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4MAPK1HSD17B10 | |
| SCHEMBL3390876 | 0.72 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4MAPK1HSD17B10 |
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-4362734-A | 2-(Substituted-amino)-5-(pyridinyl-nicotinonitriles, and their cardiotonic use | STERLING DRUG INC. (US) | 1982-12-07 | — | — | US | disclosed |