Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TYMP | P19971 | 1/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 2/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11229727 | 0.82 | PDE3B (0.68) | ALKKMT2APDE3BPDE3AAURKB | |
| SCHEMBL11235886 | 0.82 | PDE3B (0.46) | KMT2ATYMPPDE3BPDE3AAURKB | |
| SCHEMBL11235848 | 0.81 | PDE3B (0.67) | PDE3BPDE3AAURKBINCENPPDE4A | |
| SCHEMBL2673559 | 0.81 | ALK (0.47) | ALKKMT2APDE3BPDE3AAURKB | |
| SCHEMBL11236769 | 0.80 | KDM4E (0.50) | ALKKMT2APDE3BPDE3AAURKB | |
| SCHEMBL11243997 | 0.80 | ALK (0.46) | ALKKMT2APDE3BPDE3AAURKB | |
| SCHEMBL11078693 | 0.79 | MKNK1 (0.56) | ALKKMT2APDE3BPDE3AAURKB | |
| SCHEMBL10911458 | 0.79 | PDE3A (0.71) | ALKKMT2APDE3BPDE3AAURKB | |
| SCHEMBL11233155 | 0.78 | CYP11B1 (0.46) | ALKKMT2APDE3BPDE3AAURKB | |
| SCHEMBL5270008 | 0.78 | ALK (0.56) | ALKKMT2AAURKBNPY5RCYP2A6 |
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 |