Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11240585 | 0.87 | KDM4E (0.39) | APLNRALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL11236502 | 0.84 | PTGES (0.41) | APLNRCHEK1ALDH1A1KDM4EHPGD | |
| SCHEMBL11239237 | 0.84 | PARP1 (0.40) | APLNRCHEK1ALDH1A1KDM4EHPGD | |
| SCHEMBL11239131 | 0.81 | APLNR (0.43) | APLNR | |
| SCHEMBL11230321 | 0.81 | PDE3B (0.54) | APLNRCHEK1ALDH1A1KDM4EHPGD | |
| SCHEMBL11248206 | 0.80 | BTK (0.41) | APLNRALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL11234984 | 0.79 | GPR84 (0.46) | CHEK1CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL5489687 | 0.78 | CYP1A2 (0.41) | KDM4ECYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL11238815 | 0.78 | CDK5 (0.44) | APLNRALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL11242267 | 0.75 | TYRO3 (0.43) | HSD17B10LMNASMN1; SMN2 |
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 |