Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.80 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.80 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.80 |
| ▸ | GRIA2 | P42262 | 3/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.44 |
| ▸ | PDE4A | P27815 | 2/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5488342 | 0.99 | CYP1A2 (0.77) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7409537 | 0.93 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7607530 | 0.91 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7409542 | 0.90 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7407379 | 0.90 | CYP1A2 (0.80) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7405387 | 0.89 | CYP1A2 (0.78) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7407596 | 0.89 | CYP1A2 (0.78) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL29651353 | 0.89 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL1056361 | 0.89 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7402313 | 0.88 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002088096-A1 | COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF | NEURO3D (FR) | 2002-11-07 | — | — | WO | disclosed |