Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.43 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1825322 | 0.86 | AR (0.58) | ARPBRM1CYP19A1LDHANPC1 | |
| SCHEMBL1822330 | 0.85 | AR (0.52) | ARPBRM1CYP19A1NPC1RAB9A | |
| SCHEMBL4366347 | 0.73 | AR (0.73) | ARCYP19A1LDHANPC1RAB9A | |
| SCHEMBL1823377 | 0.72 | AR (0.57) | ARPBRM1CYP19A1NPC1RAB9A | |
| SCHEMBL11246346 | 0.71 | MAOB (0.69) | ARCYP19A1NPC1RAB9ACYP3A4 | |
| SCHEMBL11246350 | 0.71 | MAOB (0.69) | ARCYP19A1NPC1RAB9ACYP3A4 | |
| SCHEMBL1823831 | 0.70 | AR (0.58) | ARPBRM1CYP19A1NPC1RAB9A | |
| SCHEMBL7958698 | 0.70 | AR (0.52) | ARCYP19A1LDHANPC1RAB9A | |
| SCHEMBL1820699 | 0.70 | AR (0.74) | ARPBRM1CYP19A1NPC1RAB9A | |
| SCHEMBL14053522 | 0.70 | AR (0.74) | ARPBRM1CYP19A1NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2324032-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2014-10-01 | — | — | EP | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |