Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 9/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.33 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7959178 | 0.95 | BACE1 (0.35) | BACE1CTSDCHRM2CHRM4CHRM5 | |
| SCHEMBL7960162 | 0.87 | BACE1 (0.37) | BACE1CTSDCHRM2CHRM4CHRM5 | |
| SCHEMBL7972789 | 0.86 | BACE1 (0.39) | BACE1CTSDDRD2DRD3CHRM2 | |
| SCHEMBL7962154 | 0.86 | CYP19A1 (0.38) | BACE1CTSDFFAR2PDK1PDK2 | |
| SCHEMBL7949246 | 0.80 | CYP19A1 (0.37) | BACE1CTSDHRH3CYP11B2 | |
| SCHEMBL7950031 | 0.80 | BACE1 (0.38) | BACE1CTSDDRD2DRD3USP30 | |
| SCHEMBL7960150 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL1824011 | 0.76 | BACE1 (0.37) | BACE1CTSDUSP30PDK1PDK2 | |
| SCHEMBL1824010 | 0.76 | BACE1 (0.37) | BACE1CTSDUSP30PDK1PDK2 | |
| SCHEMBL7951786 | 0.76 | BACE1 (0.38) | BACE1CTSDHRH3 |
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 5 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-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 |
| 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 (1 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 | BACE1 1/4885CTSD 43/4885DRD2 4208/4885 |
“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.