Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP14 | P50281 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL9928051 | 0.92 | CYP3A4 (0.44) | CYP3A4MMP9MMP8MMP14HTT | |
| SCHEMBL9928054 | 0.92 | CYP3A4 (0.44) | CYP3A4MMP9MMP8MMP14HTT | |
| SCHEMBL15218985 | 0.92 | MMP9 (0.38) | CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL15218986 | 0.92 | MMP9 (0.38) | CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL9928057 | 0.91 | CYP3A4 (0.46) | CYP3A4MMP9MMP8MMP14HTT | |
| SCHEMBL9928052 | 0.91 | CYP3A4 (0.46) | CYP3A4MMP9MMP8MMP14HTT | |
| SCHEMBL23837947 | 0.90 | MMP9 (0.39) | CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL15218977 | 0.89 | CYP3A4 (0.41) | CYP3A4MMP9MMP8MMP14HTT | |
| SCHEMBL16298535 | 0.89 | CYP3A4 (0.44) | CYP3A4MMP9MMP8MMP14HTT | |
| SCHEMBL9928049 | 0.89 | CYP3A4 (0.44) | CYP3A4MMP9MMP8MMP14HTT |
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-2013126683-A1 | REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS | NALCO COMPANY (US) | 2013-08-29 | — | — | WO | disclosed |