Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1861635 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL1870239 | 0.81 | MMP1 (0.34) | — | |
| SCHEMBL6938204 | 0.79 | CA12 (0.34) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL1862557 | 0.79 | CA12 (0.34) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL1864715 | 0.78 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL1863280 | 0.77 | CPB2 (0.32) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL1867666 | 0.71 | CA12 (0.34) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL1865655 | 0.70 | REN (0.40) | BACE1 | |
| SCHEMBL1866877 | 0.70 | — | — | |
| SCHEMBL1859375 | 0.70 | FPR1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | US | 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-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | DNPEP, PEPD, ACE | PDK1 491/4885PDK2 428/4885PDK3 639/4885 |
“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.