Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2377152 | 0.76 | AKR1B1 (0.39) | BACE1AKR1B1ALOX12ARCYP19A1 | |
| SCHEMBL12299302 | 0.74 | AKR1B1 (0.40) | AKR1B1ALOX12ARCYP19A1ABCB1 | |
| SCHEMBL1823750 | 0.73 | BACE1 (0.53) | BACE1AKR1B1KCNH2 | |
| SCHEMBL1464135 | 0.70 | BACE1 (0.41) | BACE1AKR1B1ALOX12AR | |
| SCHEMBL1822169 | 0.70 | AKR1B1 (0.44) | BACE1AKR1B1ALOX12ARCYP19A1 | |
| SCHEMBL1822778 | 0.70 | AKR1B1 (0.47) | AKR1B1CYP19A1 | |
| SCHEMBL16136455 | 0.69 | AKR1B1 (0.40) | BACE1AKR1B1ARCYP19A1ABCB1 | |
| SCHEMBL2374402 | 0.69 | BACE1 (0.36) | BACE1 | |
| SCHEMBL1821671 | 0.68 | ALOX12 (0.39) | BACE1AKR1B1ALOX12ARCYP19A1 | |
| SCHEMBL16369149 | 0.67 | BACE1 (0.43) | BACE1AKR1B1KCNH2 |
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 6 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 |
| 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 | BACE1 1/4885AKR1B1 2656/4885ALOX12 2925/4885 |
| US-20130317014-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, APP | BACE1 1/4885AKR1B1 2656/4885ALOX12 2925/4885 |
“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.