Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 3/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | FPR3 | P25089 | 2/20 | 0.36 |
| ▸ | FPR2 | P25090 | 2/20 | 0.36 |
| ▸ | BUB1 | O43683 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29604151 | 0.88 | ESR2 (0.43) | ESR2RORCNR1H2USP30HDAC1 | |
| SCHEMBL21397628 | 0.88 | ESR2 (0.43) | ESR2RORCNR1H2USP30HDAC1 | |
| SCHEMBL25401400 | 0.86 | NR1H2 (0.40) | ESR2RORCNR1H2USP30HDAC1 | |
| SCHEMBL29609231 | 0.83 | MAPK1 (0.44) | RORCNR1H2USP30CRBNDDB1 | |
| SCHEMBL21855879 | 0.83 | MAPK1 (0.44) | RORCNR1H2USP30CRBNDDB1 | |
| SCHEMBL22789685 | 0.79 | USP30 (0.41) | ESR2RORCUSP30HDAC1FPR3 | |
| SCHEMBL25309341 | 0.79 | OXTR (0.43) | ESR2RORCNR1H2USP30BUB1 | |
| SCHEMBL31089984 | 0.79 | OXTR (0.43) | ESR2RORCNR1H2USP30BUB1 | |
| SCHEMBL29637621 | 0.78 | NR1H2 (0.37) | ESR2NR1H2USP30ROCK2CCNB2 | |
| SCHEMBL22792391 | 0.78 | ESR2 (0.52) | ESR2NR1H2USP30HDAC1CRBN |
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 15 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 |
| 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 |
| 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 | ESR2 1890/4885RORC 2707/4885NR1H2 1061/4885 |
| US-10336717-B2 | Inhibitors of beta-secretase | BACE1, BACE2, PSEN1 | ESR2 1890/4885RORC 2707/4885NR1H2 1061/4885 |
| US-20160272600-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | ESR2 1890/4885RORC 2707/4885NR1H2 1061/4885 |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | ESR2 1890/4885RORC 2707/4885NR1H2 1061/4885 |
“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.