Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TDP2 | O95551 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | ROS1 | P08922 | 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 | |
|---|---|---|---|---|
| SCHEMBL9948162 | 0.89 | TDP1 (0.46) | TDP1L3MBTL1METAP1CA1CA2 | |
| SCHEMBL9948561 | 0.85 | TDP1 (0.44) | TDP1L3MBTL1METAP1CA1CA2 | |
| SCHEMBL1465537 | 0.83 | TDP1 (0.41) | TDP1L3MBTL1METAP1CA1CA2 | |
| SCHEMBL30482 | 0.83 | TDP1 (0.45) | TDP1L3MBTL1METAP1CA1CA2 | |
| SCHEMBL27840 | 0.81 | LRRK2 (0.41) | TDP1L3MBTL1METAP1CA1CA2 | |
| SCHEMBL30726 | 0.81 | BACE1 (0.43) | TDP1L3MBTL1METAP1CA1CA2 | |
| SCHEMBL30898650 | 0.81 | LRRK2 (0.41) | TDP1L3MBTL1METAP1CA1CA2 | |
| SCHEMBL28905294 | 0.81 | PARP10 (0.44) | TDP1L3MBTL1METAP1CA1CA2 | |
| SCHEMBL7890162 | 0.80 | TDP1 (0.40) | TDP1L3MBTL1METAP1CA1CA2 | |
| SCHEMBL1465873 | 0.80 | BACE1 (0.44) | TDP1L3MBTL1METAP1CA1CA2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 (3 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 | TDP1 582/4885L3MBTL1 4257/4885METAP1 130/4885 |
| US-20160272600-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | TDP1 582/4885L3MBTL1 4257/4885METAP1 130/4885 |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | TDP1 582/4885L3MBTL1 4257/4885METAP1 130/4885 |
“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.