Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16155371 | 0.85 | CYP2D6 (0.38) | CYP2D6CYP2C19ALOX15TSHR | |
| SCHEMBL27560221 | 0.78 | CYP2D6 (0.37) | CYP2D6CYP2C19ALOX15TSHR | |
| SCHEMBL1262250 | 0.75 | TSHR (0.31) | ALOX15TSHR | |
| SCHEMBL4058108 | 0.74 | CA2 (0.41) | TSHR | |
| SCHEMBL27009146 | 0.74 | CYP2D6 (0.31) | CYP2D6CYP2C19 | |
| SCHEMBL4056210 | 0.73 | FAAH (0.44) | — | |
| SCHEMBL16155348 | 0.73 | CYP3A4 (0.32) | — | |
| SCHEMBL9946511 | 0.72 | ALDH1A1 (0.34) | CYP2D6CYP2C19TSHR | |
| SCHEMBL9904081 | 0.72 | ALDH1A1 (0.34) | CYP2D6CYP2C19TSHR | |
| SCHEMBL9904080 | 0.72 | ALDH1A1 (0.34) | CYP2D6CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014165792-A2 | MACROLIDES AND METHODS OF THEIR PREPARATION AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-10-09 | — | — | WO | disclosed |