Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.69 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.69 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.69 |
| ▸ | STS | P08842 | 1/20 | 0.63 |
| ▸ | MAOB | P27338 | 10/20 | 0.57 |
| ▸ | MAOA | P21397 | 5/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL27934733 | 0.89 | MAOB (0.59) | ARABCB1ABCG2STSMAOB | |
| SCHEMBL4358165 | 0.86 | AR (0.68) | ARABCB1ABCG2STSMAOB | |
| SCHEMBL7969828 | 0.84 | AR (0.71) | ARABCB1ABCG2STSMAOB | |
| SCHEMBL23905940 | 0.82 | MAOB (0.62) | MAOBMAOACYP19A1NPC1RAB9A | |
| SCHEMBL126192 | 0.82 | AR (1.00) | ARABCB1ABCG2STSMAOB | |
| SCHEMBL4394832 | 0.82 | AR (1.00) | ARABCB1ABCG2STSMAOB | |
| SCHEMBL1823145 | 0.82 | AR (0.76) | ARABCB1ABCG2STSMAOB | |
| SCHEMBL13091031 | 0.80 | ABCG2 (0.73) | ABCG2CYP19A1ADORA3HSD17B10ALDH1A1 | |
| SCHEMBL13091033 | 0.80 | ABCG2 (0.73) | ABCG2CYP19A1ADORA3HSD17B10ALDH1A1 | |
| SCHEMBL13091029 | 0.80 | ABCG2 (0.73) | ABCG2CYP19A1ADORA3HSD17B10ALDH1A1 |
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 7 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-20130317014-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2013-11-28 | — | — | US | 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 |
| EP-2324032-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2011-05-25 | — | — | EP | 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 (2 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 4331/4885ABCB1 348/4885ABCG2 1040/4885 |
| US-20130317014-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, APP | AR 4331/4885ABCB1 348/4885ABCG2 1040/4885 |
“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.