Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.35 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
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 | 0.77 | KDM4E (0.51) | KDM4EGAADYRK1ADHODHPOLB | |
| SCHEMBL11238700 | 0.76 | POLB (0.39) | KDM4EGAADHODHCYP1A2POLB | |
| SCHEMBL11232487 | 0.75 | JAK1 (0.46) | KDM4EALDH1A1 | |
| SCHEMBL11243686 | 0.75 | KDM4E (0.36) | KDM4ECYP1A2POLBALDH1A1 | |
| SCHEMBL11231843 | 0.75 | PDE3B (0.51) | KDM4EGAAFGFR1FGFR2CYP2C19 | |
| SCHEMBL10980606 | 0.74 | ADORA2B (0.42) | KDM4EADORA2AADORA3CYP2C19CDK2 | |
| SCHEMBL10982470 | 0.74 | DRD1 (0.39) | KDM4EGAACYP2C9CCNE2CCNE1 | |
| SCHEMBL11238639 | 0.73 | PDE3B (0.57) | KDM4EGAAADORA2AADORA3CYP2C19 | |
| SCHEMBL11235309 | 0.72 | ALDH1A1 (0.58) | KDM4EGAAPOLBALDH1A1 | |
| SCHEMBL11232009 | 0.71 | KDM4E (0.61) | KDM4EGAACYP2C9CYP2C19ALDH1A1 |
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 |