Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11233196 | 0.83 | KDM4E (0.51) | ALDH1A1L3MBTL1MAPTLMNAPOLB | |
| SCHEMBL11238700 | 0.82 | POLB (0.39) | ALDH1A1L3MBTL1MAPTLMNAPOLB | |
| SCHEMBL9671945 | 0.75 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1MAPTLMNAPOLB | |
| SCHEMBL11242636 | 0.74 | CDK5 (0.62) | ALDH1A1L3MBTL1MAPTLMNAPOLB | |
| SCHEMBL11231843 | 0.73 | PDE3B (0.51) | LMNAGAANPC1KDM4EKMT2A | |
| SCHEMBL11243686 | 0.73 | KDM4E (0.36) | ALDH1A1MAPTLMNAPOLBKDM4E | |
| SCHEMBL31555544 | 0.72 | KMT2A (0.41) | ALDH1A1MAPTLMNAPOLBGAA | |
| SCHEMBL9476375 | 0.71 | GAA (0.88) | ALDH1A1L3MBTL1MAPTLMNAPOLB | |
| SCHEMBL10004177 | 0.71 | ALDH1A1 (0.73) | ALDH1A1L3MBTL1MAPTLMNAPOLB | |
| SCHEMBL9672980 | 0.70 | ALDH1A1 (0.88) | ALDH1A1L3MBTL1MAPTLMNAPOLB |
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 |