Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.69 |
| ▸ | MAOB | P27338 | 11/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.67 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.64 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.64 |
| ▸ | STS | P08842 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | PLK1 | P53350 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7967068 | 0.87 | MAOB (0.66) | ARMAOBCYP19A1ADORA3KDM4E | |
| SCHEMBL7958698 | 0.85 | AR (0.52) | ARMAOBCYP19A1ADORA3KDM4E | |
| SCHEMBL7954899 | 0.85 | RAB9A (0.58) | ARMAOBCYP19A1ADORA3KDM4E | |
| SCHEMBL6699546 | 0.84 | AR (0.73) | ARMAOBCYP19A1ADORA3KDM4E | |
| SCHEMBL7958385 | 0.84 | AR (0.50) | ARMAOBCYP19A1ADORA3KDM4E | |
| SCHEMBL7959126 | 0.84 | AR (0.49) | ARMAOBCYP19A1ADORA3KDM4E | |
| SCHEMBL7956418 | 0.82 | KDM4E (0.68) | ARMAOBCYP19A1ADORA3KDM4E | |
| SCHEMBL10362227 | 0.82 | AR (1.00) | ARMAOBCYP19A1ADORA3KDM4E | |
| SCHEMBL1820312 | 0.82 | MAOB (0.78) | ARMAOBCYP19A1ADORA3KDM4E | |
| SCHEMBL14053522 | 0.82 | AR (0.74) | ARMAOBCYP19A1ADORA3KDM4E |
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 |