Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.71 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.71 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.71 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.63 |
| ▸ | STS | P08842 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 9/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL1823533 | 0.84 | AR (0.69) | ARABCG2ABCB1HRH3STS | |
| SCHEMBL4949828 | 0.83 | STS (0.63) | ARABCG2ABCB1HRH3STS | |
| SCHEMBL4394832 | 0.83 | AR (1.00) | ARABCG2ABCB1STSMAOB | |
| SCHEMBL126192 | 0.83 | AR (1.00) | ARABCG2ABCB1STSMAOB | |
| SCHEMBL1823145 | 0.81 | AR (0.76) | ARABCG2ABCB1STSMAOB | |
| SCHEMBL13100739 | 0.81 | ABCG2 (0.72) | ABCG2CYP19A1MAPTHSD17B10ADORA3 | |
| SCHEMBL13100737 | 0.81 | ABCG2 (0.72) | ABCG2CYP19A1MAPTHSD17B10ADORA3 | |
| SCHEMBL13100738 | 0.81 | ABCG2 (0.72) | ABCG2CYP19A1MAPTHSD17B10ADORA3 | |
| SCHEMBL5375190 | 0.80 | AR (0.57) | ARABCG2ABCB1HRH3STS | |
| SCHEMBL6571980 | 0.80 | AR (0.57) | ARABCG2ABCB1HRH3STS |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8921359-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| EP-2324032-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2014-10-01 | — | — | EP | disclosed |
| US-8450308-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-20110218192-A1 | Inhibitors Of Beta-Secretase | VITAE PHARMACEUTICALS, INC. (US) | 2011-09-08 | — | — | US | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110218192-A1 | Inhibitors Of Beta-Secretase | BACE1, BACE2, APP | AR 4331/4885ABCG2 1040/4885ABCB1 348/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.