Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 2/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11231370 | 0.82 | PDE3B (0.54) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL11242781 | 0.79 | CHEK1 (0.47) | CCR1CCR5CCR8METAP2PDE3B | |
| SCHEMBL11248993 | 0.78 | GAA (0.50) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL11240175 | 0.78 | PDE3A (0.57) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL10842976 | 0.78 | PDE3B (0.42) | PDE3BPDE3AAURKBINCENPKDM4E | |
| SCHEMBL11236627 | 0.77 | CCR1 (0.40) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL11242290 | 0.76 | CCR1 (0.39) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL11248533 | 0.74 | CCR1 (0.50) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL10842914 | 0.71 | PDE3A (0.37) | CYP3A4PDE3BPDE3AAURKBINCENP | |
| SCHEMBL11234713 | 0.70 | PDE3B (0.67) | PDE3BPDE3AAURKBINCENPKDM4E |
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 |