Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | CLK3 | P49761 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11239104 | 0.87 | NPC1 (0.45) | NPC1KDM4ERAB9AMKNK1MKNK2 | |
| SCHEMBL11227734 | 0.84 | PDE3B (0.38) | NPC1KDM4ERAB9AMKNK1MKNK2 | |
| SCHEMBL11227737 | 0.84 | PDE3B (0.38) | NPC1KDM4ERAB9AMKNK1MKNK2 | |
| SCHEMBL11230309 | 0.84 | MKNK1 (0.49) | KDM4EMKNK1MKNK2PDE3BPDE3A | |
| SCHEMBL11231407 | 0.80 | PDE3B (0.41) | MKNK1MKNK2PDE3BPDE3AHPGD | |
| SCHEMBL11231386 | 0.80 | PDE3B (0.41) | MKNK1MKNK2PDE3BPDE3AHPGD | |
| SCHEMBL11234641 | 0.78 | PDE3B (0.44) | KDM4EMKNK1MKNK2PDE3BPDE3A | |
| SCHEMBL11231551 | 0.78 | AURKB (0.51) | KDM4EMKNK1MKNK2PDE3BPDE3A | |
| SCHEMBL11235886 | 0.78 | PDE3B (0.46) | KDM4EMKNK1MKNK2PDE3BPDE3A | |
| SCHEMBL11231128 | 0.77 | MKNK1 (0.49) | MKNK1MKNK2PDE3BPDE3ADHODH |
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 |