Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1823052 | 0.79 | APP (0.43) | CA1CA9CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL4550984 | 0.74 | CYP2B6 (0.46) | CA1CA9CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL7485477 | 0.74 | PKM (0.48) | CA1CA9CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL13464653 | 0.71 | HSD17B10 (0.44) | CYP1A2 | |
| SCHEMBL10732840 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL16789730 | 0.68 | MAOB (0.50) | — | |
| SCHEMBL7962215 | 0.66 | MAOB (0.40) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL14721889 | 0.63 | PKM (0.40) | CA1CA9CYP1A2CYP1B1CYP1A1 | |
| Naphthoquinone SCHEMBL28256145 | 0.62 | IDO1 (0.48) | CA1CA9CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL1201980 | 0.61 | — | — |
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-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |