Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | MMP14 | P50281 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL11236586 | 0.81 | CDK5 (0.53) | ALDH1A1LMNAL3MBTL1MAPTMMP2 | |
| SCHEMBL11236769 | 0.80 | KDM4E (0.50) | LMNAKDM4EHSD17B10GAAHPGD | |
| SCHEMBL11078693 | 0.79 | MKNK1 (0.56) | LMNAKMT2A | |
| SCHEMBL11242636 | 0.78 | CDK5 (0.62) | ALDH1A1LMNAL3MBTL1MAPTCDK5 | |
| SCHEMBL2673559 | 0.76 | ALK (0.47) | ALDH1A1LMNAMMP2MMP13MMP14 | |
| SCHEMBL11229029 | 0.75 | ALK (0.43) | ALDH1A1LMNAKDM4EHSD17B10HPGD | |
| SCHEMBL11229059 | 0.74 | MKNK1 (0.43) | ALDH1A1LMNAKDM4EHSD17B10HPGD | |
| SCHEMBL4428979 | 0.73 | ALK (0.53) | ALDH1A1L3MBTL1MAPTMMP2MMP13 | |
| SCHEMBL5903422 | 0.72 | CDK5 (0.80) | CDK5CDK5R1 | |
| SCHEMBL11229727 | 0.72 | PDE3B (0.68) | ALDH1A1LMNAKDM4EHSD17B10HPGD |
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 |