Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11247724 | 0.84 | PIK3CD (0.44) | CHEK1ADORA1ALDH1A1NPSR1TDP1 | |
| SCHEMBL27241764 | 0.83 | KDR (0.45) | CHEK1CYP11B2CYP17A1CYP11B1ALDH1A1 | |
| SCHEMBL10841297 | 0.79 | ALDH1A1 (0.45) | CYP11B2ADORA1EPHX2PRMT6CYP17A1 | |
| SCHEMBL7279694 | 0.78 | PDGFRB (0.51) | CHEK1CYP11B2CYP17A1CYP11B1ALDH1A1 | |
| SCHEMBL11248859 | 0.78 | ALDH1A1 (0.41) | CYP11B2CYP11B1ALDH1A1NPSR1TDP1 | |
| SCHEMBL7282308 | 0.78 | ALDH1A1 (0.71) | CHEK1CYP11B2CYP17A1CYP11B1ALDH1A1 | |
| SCHEMBL27241705 | 0.77 | KDR (0.41) | CHEK1CYP11B2CYP17A1CYP11B1ALDH1A1 | |
| SCHEMBL7285793 | 0.77 | CHEK1 (0.47) | CHEK1ALDH1A1CYP2A6NPSR1TDP1 | |
| SCHEMBL11242985 | 0.75 | CCNC (0.52) | CYP11B2ALDH1A1TDP1CYP3A4CYP1A2 | |
| SCHEMBL11240500 | 0.75 | KDM4E (0.39) | CYP11B2CYP11B1ALDH1A1NPSR1TDP1 |
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 |