Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GUSB | P08236 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
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 | 0.85 | AR (0.69) | ARRAB9ANPC1ABCB1ABCG2 | |
| SCHEMBL1825322 | 0.84 | AR (0.58) | ARRAB9ANPC1ABCB1ABCG2 | |
| SCHEMBL4366347 | 0.84 | AR (0.73) | ARRAB9ANPC1MAOBCYP19A1 | |
| SCHEMBL7954899 | 0.84 | RAB9A (0.58) | ARRAB9ANPC1ABCB1ABCG2 | |
| SCHEMBL11246350 | 0.83 | MAOB (0.69) | ARRAB9ANPC1MAOBCYP19A1 | |
| SCHEMBL11246346 | 0.83 | MAOB (0.69) | ARRAB9ANPC1MAOBCYP19A1 | |
| SCHEMBL7957819 | 0.81 | ABCB1 (0.67) | ARRAB9ANPC1ABCB1ABCG2 | |
| SCHEMBL6700946 | 0.79 | AR (0.69) | ARRAB9ANPC1ABCB1ABCG2 | |
| SCHEMBL7967068 | 0.78 | MAOB (0.66) | ARRAB9AABCB1ABCG2MAOB | |
| SCHEMBL7958385 | 0.78 | AR (0.50) | ARRAB9ANPC1ABCB1ABCG2 |
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 |