Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | BTK | Q06187 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 2/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NNMT | P40261 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | MERTK | Q12866 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11248993 | 0.88 | GAA (0.50) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL11236144 | 0.81 | BTK (0.51) | PARP1BTKCDC7CCNCCDK8 | |
| SCHEMBL11231370 | 0.80 | PDE3B (0.54) | CCR1CCR5CCR8HDAC6PARP1 | |
| SCHEMBL11248742 | 0.77 | CCR1 (0.44) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL11238700 | 0.77 | POLB (0.39) | TGFBR1CDC7CCNCCDK8KDM4E | |
| SCHEMBL10964419 | 0.76 | KDM4E (0.46) | PARP1KDM4E | |
| SCHEMBL11240175 | 0.74 | PDE3A (0.57) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL28942178 | 0.74 | GAA (0.41) | BTKCDC7CCNCCDK8KDM4E | |
| SCHEMBL3529606 | 0.74 | BCAT2 (0.51) | CCR1CCR5CCR8HDAC6PARP1 | |
| SCHEMBL10704473 | 0.73 | CCNC (0.67) | BTKCDC7CCNCCDK8KDM4E |
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 |