Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 17/20 | 0.66 |
| ▸ | AR | P10275 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7958829 | 0.87 | AR (0.69) | MAOBARKDM4EADORA3CYP19A1 | |
| SCHEMBL1822266 | 0.83 | MAOB (0.66) | MAOBARADORA3CYP19A1RAB9A | |
| SCHEMBL4360454 | 0.83 | AR (0.77) | MAOBARADORA3CYP19A1RAB9A | |
| SCHEMBL9825807 | 0.81 | MAOB (0.78) | MAOBARKDM4EADORA3CYP19A1 | |
| SCHEMBL30777574 | 0.80 | MAOB (0.81) | MAOBARKDM4ECYP19A1HSD17B10 | |
| SCHEMBL18893710 | 0.80 | MAOB (0.81) | MAOBARKDM4ECYP19A1HSD17B10 | |
| SCHEMBL2474548 | 0.80 | MAOB (1.00) | MAOBARKDM4EADORA3CYP19A1 | |
| SCHEMBL2474549 | 0.80 | MAOB (1.00) | MAOBARKDM4EADORA3CYP19A1 | |
| SCHEMBL7958698 | 0.78 | AR (0.52) | MAOBARKDM4EADORA3CYP19A1 | |
| SCHEMBL7956418 | 0.78 | KDM4E (0.68) | MAOBARKDM4EADORA3CYP19A1 |
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 |