Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 5/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GALR3 | O60755 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11263595 | 1.00 | KDM4E (0.42) | KDM4EPDE3APDE3BHPGDPDE4A | |
| SCHEMBL11263185 | 0.80 | PDE3B (0.44) | KDM4EPDE3APDE3BHPGDPDE4A | |
| SCHEMBL11263181 | 0.80 | PDE3B (0.44) | KDM4EPDE3APDE3BHPGDPDE4A | |
| SCHEMBL11267124 | 0.80 | PDE3A (0.47) | KDM4EPDE3APDE3BHPGDPDE4A | |
| SCHEMBL11264525 | 0.80 | PDE3A (0.47) | KDM4EPDE3APDE3BHPGDPDE4A | |
| SCHEMBL11267108 | 0.80 | PDE3A (0.47) | KDM4EPDE3APDE3BHPGDPDE4A | |
| SCHEMBL11264528 | 0.80 | PDE3A (0.47) | KDM4EPDE3APDE3BHPGDPDE4A | |
| SCHEMBL11259651 | 0.79 | PDE3A (0.61) | KDM4EPDE3APDE3BHPGDPDE4A | |
| SCHEMBL11259649 | 0.79 | PDE3A (0.61) | KDM4EPDE3APDE3BHPGDPDE4A | |
| SCHEMBL11255095 | 0.77 | GAA (0.37) | KDM4EHPGDPDE4DALDH1A1GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4363911-A | 1,2-Dihydro-6-[2-(dimethylamino)ethenyl]-2-oxo-5-(pyridinyl) nicotinonitriles | STERLING DRUG INC. (US) | 1982-12-14 | — | — | US | disclosed |