Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 9/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE9A | O76083 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11239015 | 0.84 | PDE3B (0.41) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL11235398 | 0.81 | GAA (0.45) | CCR1CCR8TGFBR1PDE5APDE1A | |
| SCHEMBL11241754 | 0.81 | SORT1 (0.40) | CCR1CCR8TGFBR1CDK5CDK5R1 | |
| SCHEMBL11251060 | 0.80 | TGFBR1 (0.43) | CCR1CCR8TGFBR1CDK5CDK5R1 | |
| SCHEMBL11242990 | 0.79 | TGFBR1 (0.35) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL11231230 | 0.77 | CCR1 (0.44) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL11236260 | 0.71 | PDE3B (0.43) | PDE5ACDK5CDK5R1 | |
| SCHEMBL3419835 | 0.67 | CCR1 (0.73) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL10752750 | 0.66 | CCR1 (0.58) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL3559799 | 0.65 | ALDH1A1 (0.49) | CCR1CCR8TGFBR1CYP2A6METAP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4365065-A | 1-(Pyridinyl)-2-(dimethylamino)ethenyl lower-alkyl ketones | STERLING DRUG INC. (US) | 1982-12-21 | — | — | US | disclosed |
| US-4313951-A | 3-Substituted-6-(lower-alkyl)-5-(pyridinyl)-2(1H)-pyridinones, their cardiotonic use and intermediates therefor | STERLING DRUG INC. (US) | 1982-02-02 | — | — | US | disclosed |