Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.69 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.59 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.59 |
| ▸ | HRH1 | P35367 | 4/20 | 0.57 |
| ▸ | AKT2 | P31751 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14080858 | 0.95 | CYP2A6 (0.67) | CYP2A6MKNK1MKNK2HRH1AKT2 | |
| SCHEMBL10066463 | 0.89 | CYP2A6 (0.73) | CYP2A6MKNK1MKNK2HRH1CYP3A4 | |
| SCHEMBL35988 | 0.84 | CYP2A6 (0.61) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL3187079 | 0.83 | CYP2A6 (0.67) | CYP2A6MKNK1MKNK2HRH1CYP3A4 | |
| SCHEMBL12435674 | 0.83 | CYP3A4 (0.64) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL30083377 | 0.82 | CYP2A6 (1.00) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL1720463 | 0.82 | CYP2A6 (1.00) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL15060898 | 0.81 | TDP1 (0.67) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL6027 | 0.81 | MKNK1 (0.58) | CYP2A6MKNK1MKNK2CA12CA1 | |
| SCHEMBL20888564 | 0.80 | CYP2A6 (0.56) | CYP2A6MKNK1MKNK2HRH1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008106204-A1 | MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X-PHARMACEUTICALS, INC. (US) | 2008-09-04 | — | — | WO | disclosed |
| WO-2008106204-A1 | MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X-PHARMACEUTICALS, INC. (US) | 2008-09-04 | — | — | WO | disclosed |