Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 3/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.41 |
| ▸ | CDK8 | P49336 | 2/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 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 | |
|---|---|---|---|---|
| SCHEMBL11238008 | 0.85 | GSK3A (0.45) | PIK3CDPIK3CAPIK3CBCHEK1ALDH1A1 | |
| SCHEMBL11248371 | 0.84 | CHEK1 (0.47) | CHEK1ALDH1A1TDP1NPSR1KDM4E | |
| SCHEMBL27241773 | 0.81 | LRRK2 (0.41) | PIK3CDPIK3CAPIK3CBCHEK1ALDH1A1 | |
| SCHEMBL7291065 | 0.79 | ROCK1 (0.46) | PIK3CDPIK3CAPIK3CBCHEK1ALDH1A1 | |
| SCHEMBL7284439 | 0.79 | PRKCH (0.46) | PIK3CDPIK3CAPIK3CBCHEK1ALDH1A1 | |
| SCHEMBL11242985 | 0.78 | CCNC (0.52) | ALDH1A1TDP1KDM4EPDE3BPDE3A | |
| SCHEMBL7292117 | 0.78 | ROCK1 (0.43) | PIK3CDPIK3CAPIK3CBCHEK1ALDH1A1 | |
| SCHEMBL7284179 | 0.78 | GLA (0.42) | PIK3CDPIK3CAPIK3CBCHEK1ALDH1A1 | |
| SCHEMBL11240500 | 0.78 | KDM4E (0.39) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL7285793 | 0.78 | CHEK1 (0.47) | CHEK1ALDH1A1TDP1NPSR1KDM4E |
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 2 patents. 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 | claimed |
| US-4362734-A | 2-(Substituted-amino)-5-(pyridinyl-nicotinonitriles, and their cardiotonic use | STERLING DRUG INC. (US) | 1982-12-07 | — | — | US | disclosed |