Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.50 |
| ▸ | CCR5 | P51681 | 1/20 | 0.50 |
| ▸ | CCR8 | P51685 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HCAR1 | Q9BXC0 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11246077 | 0.76 | CHEK1 (0.48) | CCR1CCR5CCR8METAP2LMNA | |
| SCHEMBL10848672 | 0.75 | CCNT1 (0.42) | PDE3BPDE3A | |
| SCHEMBL11231370 | 0.74 | PDE3B (0.54) | CCR1CCR5CCR8HDAC6METAP2 | |
| SCHEMBL11248742 | 0.74 | CCR1 (0.44) | CCR1CCR5CCR8HDAC6METAP2 | |
| SCHEMBL26785692 | 0.72 | CCR1 (0.50) | CCR1CCR5CCR8HDAC6METAP2 | |
| SCHEMBL11240531 | 0.71 | CA12 (0.39) | LMNAKMT2AHCAR1CA12CA9 | |
| SCHEMBL11248993 | 0.71 | GAA (0.50) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL11240175 | 0.71 | PDE3A (0.57) | CCR1CCR5CCR8HDAC6METAP2 | |
| SCHEMBL10843649 | 0.71 | PDE3B (0.42) | MEN1KMT2AHCAR1PDE3BPDE3A | |
| SCHEMBL11236627 | 0.70 | CCR1 (0.40) | CCR1CCR5CCR8HDAC6METAP2 |
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 3 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 |
| 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 |