Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 3/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17355225 | 0.89 | PGR (0.47) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL7888134 | 0.88 | PGR (0.44) | PGRCHEK1ALKBH3NCOA1NCOA3 | |
| SCHEMBL12748158 | 0.86 | PGR (0.47) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL12747661 | 0.86 | BACE1 (0.45) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL11805867 | 0.86 | METAP1 (0.47) | HTR2CHTR2BSIGMAR1 | |
| SCHEMBL7892335 | 0.82 | BACE1 (0.56) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL12748135 | 0.82 | BACE1 (0.56) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL12748238 | 0.80 | BACE1 (0.53) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL12748242 | 0.79 | BACE1 (0.55) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL12747575 | 0.78 | BACE1 (0.61) | PGRCHEK1BACE1 |
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 13 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-20160272600-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, LLC | 2016-09-22 | — | — | US | disclosed |
| EP-2406240-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2015-12-23 | — | — | EP | disclosed |
| US-9212153-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2015-12-15 | — | — | US | disclosed |
| EP-2801570-A1 | Inhibitors of beta-secretase | Vitae Pharmaceuticals, Inc. (US) | 2014-11-12 | — | — | EP | disclosed |
| US-20140200223-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2014-07-17 | — | — | 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-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 |
| 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 | PGR 4426/4885CHEK1 3459/4885BACE1 1/4885 |
| US-10336717-B2 | Inhibitors of beta-secretase | BACE1, BACE2, PSEN1 | PGR 4426/4885CHEK1 3459/4885BACE1 1/4885 |
| US-20160272600-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | PGR 4426/4885CHEK1 3459/4885BACE1 1/4885 |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | PGR 4426/4885CHEK1 3459/4885BACE1 1/4885 |
“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.