Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TDP2 | O95551 | 1/20 | 0.46 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.44 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7409537 | 0.89 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL5488342 | 0.88 | CYP1A2 (0.77) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7408208 | 0.87 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7407689 | 0.86 | CYP1A2 (0.80) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7407379 | 0.86 | CYP1A2 (0.80) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7607530 | 0.83 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7402313 | 0.82 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7409542 | 0.82 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7407596 | 0.81 | CYP1A2 (0.78) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7405387 | 0.81 | CYP1A2 (0.78) | 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 |