Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 8/20 | 0.62 |
| ▸ | CDK5R1 | Q15078 | 8/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.55 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.55 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11242652 | 0.87 | CDK5 (0.64) | CDK5CDK5R1ALDH1A1LMNAMAPT | |
| SCHEMBL11232569 | 0.86 | CYP46A1 (0.58) | CDK5CDK5R1ALDH1A1LMNAMAPT | |
| SCHEMBL11301296 | 0.85 | CDK5 (0.65) | CDK5CDK5R1ALDH1A1LMNAMAPT | |
| SCHEMBL11235394 | 0.83 | CDK5 (0.57) | CDK5CDK5R1ALDH1A1LMNAMAPT | |
| SCHEMBL11238970 | 0.83 | CDK5 (0.54) | CDK5CDK5R1ALDH1A1LMNAMAPT | |
| SCHEMBL16116368 | 0.82 | CCNC (0.65) | CDK5CDK5R1ALDH1A1LMNAMAPT | |
| SCHEMBL11234900 | 0.82 | PDE3B (0.61) | CDK5CDK5R1ALDH1A1LMNAPDE3B | |
| SCHEMBL10704473 | 0.81 | CCNC (0.67) | CDK5CDK5R1LMNAPDE3BPDE3A | |
| SCHEMBL11233117 | 0.78 | ALDH1A1 (0.47) | CDK5CDK5R1ALDH1A1LMNAMAPT | |
| SCHEMBL24334610 | 0.78 | PDE3B (0.60) | CDK5CDK5R1ALDH1A1LMNAMAPT |
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 |