Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 5/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 6/20 | 0.36 |
| ▸ | CTSD | P07339 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1823654 | 1.00 | PGR (0.38) | PGRXDHSLC22A12BACE1CTSD | |
| SCHEMBL2392250 | 0.80 | BACE1 (0.41) | PGRBACE1CTSDCHEK1 | |
| SCHEMBL2392243 | 0.80 | BACE1 (0.41) | PGRBACE1CTSDCHEK1 | |
| SCHEMBL2375582 | 0.80 | BACE1 (0.41) | PGRBACE1CTSDARLRRK2 | |
| SCHEMBL2375588 | 0.80 | BACE1 (0.41) | PGRBACE1CTSDARLRRK2 | |
| SCHEMBL2374775 | 0.77 | BACE1 (0.44) | PGRBACE1 | |
| SCHEMBL2374777 | 0.77 | BACE1 (0.44) | PGRBACE1 | |
| SCHEMBL1828911 | 0.76 | BACE1 (0.51) | PGRBACE1HDAC8MCHR1 | |
| SCHEMBL1828912 | 0.76 | BACE1 (0.51) | PGRBACE1HDAC8MCHR1 | |
| SCHEMBL7964219 | 0.76 | BACE1 (0.38) | PGRBACE1LRRK2MCHR1 |
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 | PGR 4654/4885XDH 2602/4885SLC22A12 3091/4885 |
| US-20130317014-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, APP | PGR 4654/4885XDH 2602/4885SLC22A12 3091/4885 |
“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.