Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | SLC8A1 | P32418 | 4/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12246365 | 0.78 | AKR1B1 (0.46) | AKR1B1GAANPY1RSLC8A1ABCB1 | |
| Hydrochloric Acid SCHEMBL1822716 | 0.78 | AKR1B1 (0.45) | AKR1B1GAANPY1RSLC8A1ABCB1 | |
| SCHEMBL14053868 | 0.77 | AKR1B1 (0.37) | AKR1B1SLC8A1MEN1KMT2A | |
| SCHEMBL14053869 | 0.77 | AKR1B1 (0.37) | AKR1B1SLC8A1MEN1KMT2A | |
| SCHEMBL14129124 | 0.77 | AKR1B1 (0.37) | AKR1B1 | |
| SCHEMBL2374738 | 0.75 | CYP2C9 (0.33) | AKR1B1ALDH1A1MAPTNPSR1 | |
| SCHEMBL1824431 | 0.74 | AKR1B1 (0.42) | AKR1B1GAANPY1RSLC8A1ABCB1 | |
| SCHEMBL27269104 | 0.73 | SMN1; SMN2 (0.33) | GAAALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL27269071 | 0.73 | SMN1; SMN2 (0.33) | GAAALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL448795 | 0.72 | HPGD (0.32) | ALDH1A1MEN1KMT2A |
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 9 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-8921359-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| US-8450308-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-8450308-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2013-05-28 | — | — | 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 |
| 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 (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 | AKR1B1 2656/4885GAA 39/4885NPY1R 2801/4885 |
“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.