Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2376622 | 1.00 | CHRNB2 (0.39) | CHRNB2CHRNA5CHRNA4CYP11B2CYP11B1 | |
| SCHEMBL1821928 | 0.86 | CYP19A1 (0.47) | CHRNB2CHRNA5CHRNA4CYP11B2CYP11B1 | |
| SCHEMBL12245742 | 0.86 | KDM4E (0.35) | CYP11B2CYP11B1ALDH1A1KDM4ELMNA | |
| SCHEMBL1822367 | 0.82 | GRM5 (0.40) | CLK4 | |
| SCHEMBL1822368 | 0.82 | GRM5 (0.40) | CLK4 | |
| SCHEMBL1822899 | 0.82 | ALDH1A1 (0.40) | CYP11B2CYP11B1ALDH1A1KDM4ELMNA | |
| SCHEMBL1822900 | 0.82 | ALDH1A1 (0.40) | CYP11B2CYP11B1ALDH1A1KDM4ELMNA | |
| SCHEMBL1822439 | 0.72 | CYP19A1 (0.43) | KDM4ECYP19A1HSD17B10 | |
| SCHEMBL1824011 | 0.72 | BACE1 (0.37) | — | |
| SCHEMBL1824010 | 0.72 | BACE1 (0.37) | — |
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 10 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 |
| 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 |
| 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-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 |
| US-20110218192-A1 | Inhibitors Of Beta-Secretase | VITAE PHARMACEUTICALS, INC. (US) | 2011-09-08 | — | — | US | 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 | CHRNB2 351/4885CHRNA5 479/4885CHRNA4 985/4885 |
| US-20130317014-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, APP | CHRNB2 351/4885CHRNA5 479/4885CHRNA4 985/4885 |
“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.