Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 1/20 | 0.52 |
| ▸ | CDK8 | P49336 | 1/20 | 0.52 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11237350 | 0.82 | CCNC (0.54) | CCNCCDK8PDE3BPDE3AAAK1 | |
| SCHEMBL10844104 | 0.80 | CCNC (0.46) | CCNCCDK8PDE3BPDE3ALRRK2 | |
| SCHEMBL11247724 | 0.78 | PIK3CD (0.44) | CCNCCDK8PDE3BPDE3ALRRK2 | |
| SCHEMBL11160803 | 0.77 | SIRT3 (0.41) | CCNCCDK8ALDH1A1PDE10AKDM4E | |
| SCHEMBL11248371 | 0.75 | CHEK1 (0.47) | ALDH1A1CYP1A2CYP3A4HSD17B10CLK4 | |
| SCHEMBL11450302 | 0.73 | CCNC (0.70) | CCNCCDK8PDE3BPDE3ALRRK2 | |
| SCHEMBL11248859 | 0.73 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4HSD17B10CLK4 | |
| SCHEMBL11238008 | 0.70 | GSK3A (0.45) | CDK8PDE3BPDE3ALRRK2ALDH1A1 | |
| SCHEMBL4544610 | 0.70 | CCNC (0.49) | CCNCCDK8PDE3BPDE3AALDH1A1 | |
| SCHEMBL7285793 | 0.69 | CHEK1 (0.47) | ALDH1A1CYP1A2CYP3A4HSD17B10CLK4 |
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 |