Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 2/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | METAP1 | P53582 | 2/20 | 0.43 |
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10843649 | 0.82 | PDE3B (0.42) | BRD4CYP1A2BLMMETTDP1 | |
| SCHEMBL6524545 | 0.81 | CHEK1 (0.49) | CHEK1BTKBRD4KDM4ELMNA | |
| SCHEMBL11097773 | 0.80 | CHEK1 (0.46) | CHEK1BTKBRD4KDM4ELMNA | |
| SCHEMBL10848672 | 0.78 | CCNT1 (0.42) | — | |
| SCHEMBL6679694 | 0.77 | PDE10A (0.47) | CHEK1BTKKDM4ELMNAPOLB | |
| SCHEMBL11248533 | 0.76 | CCR1 (0.50) | LMNAPOLBCCR1CCR5CCR8 | |
| SCHEMBL6623765 | 0.75 | KDM4E (0.53) | CHEK1BTKKDM4ELMNAPOLB | |
| SCHEMBL11248052 | 0.74 | PDE3B (0.60) | CHEK1BTKBRD4KDM4ELMNA | |
| SCHEMBL11242781 | 0.74 | CHEK1 (0.47) | CHEK1BTKBRD4KDM4ELMNA | |
| SCHEMBL5039401 | 0.73 | TGFBR1 (0.54) | CHEK1BTKKDM4ELMNAPOLB |
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 |