Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | OTUD7B | Q6GQQ9 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 4/20 | 0.37 |
| ▸ | LIPE | Q05469 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12827650 | 0.85 | BACE1 (0.52) | BACE1SLC6A4CES1TMEM97SIGMAR1 | |
| SCHEMBL17355129 | 0.85 | SLC6A4 (0.45) | BACE1SLC6A4CES1SLC6A3HSD11B1 | |
| SCHEMBL12827684 | 0.84 | BACE1 (0.50) | BACE1SLC6A4CES1HSD11B1TMEM97 | |
| SCHEMBL12746567 | 0.83 | METAP1 (0.44) | BACE1HSD11B1OTUD7B | |
| SCHEMBL9948362 | 0.82 | MAOB (0.41) | BACE1SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL9948364 | 0.82 | MAOB (0.41) | BACE1SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL7887446 | 0.80 | TDP2 (0.40) | BACE1SLC6A4HSD11B1TMEM97SIGMAR1 | |
| SCHEMBL9948622 | 0.79 | BACE1 (0.38) | BACE1 | |
| SCHEMBL7894930 | 0.78 | BACE1 (0.39) | BACE1ABL1 | |
| SCHEMBL9947992 | 0.77 | BACE1 (0.50) | BACE1SIGMAR1ABL1 |
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-10336717-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, LLC (US) | 2019-07-02 | — | — | US | disclosed |
| US-20160272600-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, LLC | 2016-09-22 | — | — | US | disclosed |
| US-20140200223-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2014-07-17 | — | — | US | disclosed |
| US-8633212-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-01-21 | — | — | US | disclosed |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2011-03-24 | — | — | US | disclosed |
| WO-2010105179-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | 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 (4 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-20140200223-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | BACE1 1/4885SLC6A4 2835/4885CES1 361/4885 |
| US-10336717-B2 | Inhibitors of beta-secretase | BACE1, BACE2, PSEN1 | BACE1 1/4885SLC6A4 2835/4885CES1 361/4885 |
| US-20160272600-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | BACE1 1/4885SLC6A4 2835/4885CES1 361/4885 |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | BACE1 1/4885SLC6A4 2835/4885CES1 361/4885 |
“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.