Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 8/20 | 0.65 |
| ▸ | CDK5R1 | Q15078 | 8/20 | 0.65 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.48 |
| ▸ | GCGR | P47871 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | MMP14 | P50281 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11235394 | 0.93 | CDK5 (0.57) | CDK5CDK5R1PDE3BPDE3AALDH1A1 | |
| SCHEMBL11242652 | 0.90 | CDK5 (0.64) | CDK5CDK5R1PDE3BPDE3AALDH1A1 | |
| SCHEMBL11238970 | 0.86 | CDK5 (0.54) | CDK5CDK5R1PDE3BPDE3AALDH1A1 | |
| SCHEMBL11242636 | 0.85 | CDK5 (0.62) | CDK5CDK5R1PDE3BPDE3AALDH1A1 | |
| SCHEMBL11234483 | 0.85 | PDE3B (0.62) | CDK5CDK5R1PDE3BPDE3ACDC7 | |
| SCHEMBL11240589 | 0.84 | PDE3B (0.60) | CDK5CDK5R1PDE3BPDE3ACDC7 | |
| SCHEMBL11236000 | 0.81 | PDE3B (0.49) | CDK5CDK5R1PDE3BPDE3ACDC7 | |
| SCHEMBL5901859 | 0.79 | CDK5 (1.00) | CDK5CDK5R1 | |
| SCHEMBL8885710 | 0.79 | ALDH1A1 (0.67) | CDK5CDK5R1ALDH1A1LMNAMAPT | |
| SCHEMBL11227656 | 0.78 | PDE3B (0.53) | CDK5CDK5R1PDE3BPDE3ACDC7 |
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-4312875-A | 5-(Pyridinyl)-6-(lower-alkyl)-2(1H)-pyridinones, 1,2-dihydro-2-oxo-5-(pyridinyl)-6-(lower-alkyl)nicotinic acids and lower-alkyl esters thereof, and cardiotonic use thereof | STERLING DRUG INC. (US) | 1982-01-26 | — | — | US | disclosed |