Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11235919 | 0.82 | PDE3B (0.63) | PDE3BPDE3AAURKBINCENPPDE4A | |
| SCHEMBL11239104 | 0.82 | NPC1 (0.45) | ALKKMT2AAURKBKDM4EHPGD | |
| SCHEMBL11238459 | 0.80 | ALK (0.48) | ALKKMT2APIK3C3PDE3BPDE3A | |
| SCHEMBL11229727 | 0.80 | PDE3B (0.68) | ALKKMT2APIK3C3PDE3BPDE3A | |
| SCHEMBL2673559 | 0.79 | ALK (0.47) | ALKKMT2APIK3C3PDE3BPDE3A | |
| SCHEMBL11236769 | 0.78 | KDM4E (0.50) | ALKKMT2APDE3BPDE3AAURKB | |
| SCHEMBL11229029 | 0.77 | ALK (0.43) | ALKKMT2ANUDT1PIK3C3PDE3B | |
| SCHEMBL11078693 | 0.77 | MKNK1 (0.56) | ALKKMT2APDE3BPDE3AAURKB | |
| SCHEMBL10911458 | 0.77 | PDE3A (0.71) | ALKKMT2APIK3C3PDE3BPDE3A | |
| SCHEMBL11233155 | 0.76 | CYP11B1 (0.46) | ALKKMT2APDE3BPDE3AAURKB |
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 |