Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 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 |
| ▸ | PRKACA | P17612 | 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 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.35 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6878374 | 1.00 | CYP2D6 (0.43) | CYP2D6HDAC4ROCK1GSK3BROCK2 | |
| SCHEMBL6878371 | 1.00 | CYP2D6 (0.43) | CYP2D6HDAC4ROCK1GSK3BROCK2 | |
| SCHEMBL6852058 | 0.81 | CYP2D6 (0.42) | CYP2D6HDAC4ROCK1GSK3BROCK2 | |
| SCHEMBL6852059 | 0.81 | CYP2D6 (0.42) | CYP2D6HDAC4ROCK1GSK3BROCK2 | |
| SCHEMBL6879912 | 0.80 | HDAC1 (0.42) | ROCK1GSK3BROCK2PRKCGPRKACA | |
| SCHEMBL6879909 | 0.80 | HDAC1 (0.42) | ROCK1GSK3BROCK2PRKCGPRKACA | |
| SCHEMBL6879903 | 0.80 | HDAC1 (0.42) | ROCK1GSK3BROCK2PRKCGPRKACA | |
| SCHEMBL6869722 | 0.80 | TRPV1 (0.43) | CYP2D6CYP2C9 | |
| SCHEMBL6869718 | 0.80 | TRPV1 (0.43) | CYP2D6CYP2C9 | |
| SCHEMBL6869713 | 0.80 | TRPV1 (0.43) | 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 |
|---|---|---|---|---|---|---|---|
| US-6825170-B2 | ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2004-11-30 | — | — | US | disclosed |