Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 13/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 6/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27594333 | 0.85 | WRN (0.32) | WRN | |
| SCHEMBL27594332 | 0.84 | HDAC3 (0.40) | CYP2C19CYP2C9CYP3A4CYP2D6HDAC3 | |
| SCHEMBL27612886 | 0.78 | DYRK1A (0.51) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL27612911 | 0.78 | HDAC1 (0.40) | HDAC1 | |
| SCHEMBL27594327 | 0.75 | KDM4E (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27594311 | 0.75 | CYP2A6 (0.47) | CYP2A6CYP3A4MKNK1MKNK2ALDH1A1 | |
| SCHEMBL27594201 | 0.74 | ALOX5 (0.30) | — | |
| SCHEMBL10022413 | 0.73 | CYP2A6 (0.56) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL29854440 | 0.72 | CYP2A6 (0.73) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL4947405 | 0.71 | CYP2A6 (0.57) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 |
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 |