Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13218880 | 0.85 | CYP3A4 (0.33) | CYP3A4 | |
| SCHEMBL10037019 | 0.81 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL7636697 | 0.81 | SLC1A3 (0.33) | MMP1MMP2MMP3 | |
| SCHEMBL2124164 | 0.79 | CA1 (0.34) | — | |
| SCHEMBL4058108 | 0.79 | CA2 (0.41) | CYP3A4 | |
| SCHEMBL4056210 | 0.77 | FAAH (0.44) | — | |
| SCHEMBL16155345 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL9796818 | 0.74 | CYP2D6 (0.32) | — | |
| SCHEMBL4918954 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL10573309 | 0.73 | SLC1A3 (0.31) | — |
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 |