Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | PRKACA | P17612 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PRKCG | P05129 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | PRKX | P51817 | 1/20 | 0.35 |
| ▸ | PRKCD | Q05655 | 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 | |
|---|---|---|---|---|
| SCHEMBL27594259 | 0.80 | CYP17A1 (0.42) | HDAC4CYP3A4MAPT | |
| SCHEMBL27594463 | 0.80 | OPRD1 (0.40) | CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL27594326 | 0.76 | CYP3A4 (0.35) | HDAC4CYP2D6MAPK9MAPK10MAPK14 | |
| SCHEMBL27594306 | 0.74 | ATM (0.39) | HDAC4 | |
| SCHEMBL27612793 | 0.74 | HDAC4 (0.40) | HDAC4CLK4 | |
| SCHEMBL9903935 | 0.74 | CYP2D6 (0.60) | HDAC4CYP2D6MAPK9MAPK10MAPK14 | |
| SCHEMBL27594201 | 0.74 | ALOX5 (0.30) | — | |
| SCHEMBL27612928 | 0.73 | HDAC4 (0.44) | HDAC4 | |
| SCHEMBL14087360 | 0.72 | CYP2D6 (0.51) | HDAC4CYP2D6MAPK9MAPK10MAPK14 | |
| SCHEMBL27594291 | 0.71 | CYP1A2 (0.38) | CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1585775-A | 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials | ORTHO MCNEIL PHARM INC (US) | 2005-02-23 | — | — | CN | disclosed |