Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | TYMP | P19971 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11231551 | 0.84 | AURKB (0.51) | PDE3BPDE3ACYP2A6CYP3A4CYP2C9 | |
| SCHEMBL11238746 | 0.83 | PDE3B (0.64) | PDE3BPDE3ACYP2C19KDM4EHPGD | |
| SCHEMBL11238459 | 0.82 | ALK (0.48) | PDE3BPDE3ATYMPCYP2A6CYP2C19 | |
| SCHEMBL11234641 | 0.82 | PDE3B (0.44) | PDE3BPDE3ACYP2A6CYP3A4CYP2C9 | |
| SCHEMBL11231128 | 0.81 | MKNK1 (0.49) | PDE3BPDE3AKMT2AMKNK1MKNK2 | |
| SCHEMBL10707484 | 0.81 | PDE3B (0.73) | PDE3BPDE3ACYP2A6CYP3A4CYP2C9 | |
| SCHEMBL11230309 | 0.81 | MKNK1 (0.49) | PDE3BPDE3ACYP2A6CYP3A4CYP2C9 | |
| SCHEMBL11237609 | 0.80 | CYP11B1 (0.43) | PDE3BPDE3ACYP2A6CYP3A4CYP2C9 | |
| SCHEMBL11233012 | 0.79 | PDE3B (0.42) | PDE3BPDE3ACYP2A6CYP3A4CYP2C9 | |
| SCHEMBL11236586 | 0.78 | CDK5 (0.53) | PDE3BPDE3AGAAKDM4EALDH1A1 |
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 |