Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 11/20 | 0.51 |
| ▸ | DYRK1B | Q9Y463 | 7/20 | 0.51 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27594351 | 0.84 | LMNA (0.34) | CYP17A1CYP11B1ERN1 | |
| SCHEMBL27612815 | 0.83 | ERN1 (0.31) | ERN1 | |
| SCHEMBL17540830 | 0.78 | DYRK1A (0.62) | DYRK1ADYRK1BDYRK2CYP2A6CYP3A4 | |
| SCHEMBL27613073 | 0.78 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL27612907 | 0.77 | — | — | |
| SCHEMBL27594311 | 0.76 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP17A1 | |
| SCHEMBL27594326 | 0.75 | CYP3A4 (0.35) | CYP3A4CYP2D6 | |
| SCHEMBL6852565 | 0.69 | DYRK1A (0.57) | DYRK1ADYRK1BDYRK2CYP2A6CYP3A4 | |
| SCHEMBL6852569 | 0.69 | DYRK1A (0.57) | DYRK1ADYRK1BDYRK2CYP2A6CYP3A4 | |
| SCHEMBL6193569 | 0.67 | DYRK1A (0.64) | DYRK1ADYRK1BDYRK2CYP2A6CYP3A4 |
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 |