Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 8/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 6-Bromo-2-(Thiophen-2-Yl)Chroman-4-One SCHEMBL1824814 | 0.84 | AR (0.58) | ARSLC22A12CYP3A4ABCB1ABCG2 | |
| SCHEMBL7958829 | 0.79 | AR (0.69) | ARCYP3A4ABCB1ABCG2KDM4E | |
| SCHEMBL7954899 | 0.74 | RAB9A (0.58) | ARABCB1ABCG2KDM4EHSD17B10 | |
| SCHEMBL7956418 | 0.74 | KDM4E (0.68) | ARCYP3A4ABCB1ABCG2KDM4E | |
| SCHEMBL7958698 | 0.74 | AR (0.52) | ARCYP3A4ABCB1ABCG2KDM4E | |
| SCHEMBL7967068 | 0.73 | MAOB (0.66) | ARABCB1ABCG2KDM4EHSD17B10 | |
| SCHEMBL7958385 | 0.73 | AR (0.50) | ARCYP3A4ABCB1ABCG2KDM4E | |
| SCHEMBL7959576 | 0.73 | AR (0.47) | ARCYP3A4ABCB1ABCG2KDM4E | |
| SCHEMBL7964702 | 0.72 | KDM4E (0.56) | ARCYP3A4ABCB1ABCG2KDM4E | |
| SCHEMBL7957819 | 0.71 | ABCB1 (0.67) | ARCYP3A4ABCB1ABCG2KDM4E |
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 |