Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.66 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | USP19 | O94966 | 3/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3806886 | 0.80 | BACE1 (0.61) | BACE1TMEM97SIGMAR1 | |
| SCHEMBL3806887 | 0.80 | BACE1 (0.61) | BACE1TMEM97SIGMAR1 | |
| SCHEMBL8038992 | 0.80 | BACE1 (0.61) | BACE1TMEM97SIGMAR1 | |
| SCHEMBL3741323 | 0.79 | BACE1 (1.00) | BACE1SCD5MAPK1TMEM97SIGMAR1 | |
| SCHEMBL3739919 | 0.79 | BACE1 (1.00) | BACE1SCD5MAPK1TMEM97SIGMAR1 | |
| SCHEMBL3744413 | 0.79 | BACE1 (1.00) | BACE1SCD5MAPK1TMEM97SIGMAR1 | |
| SCHEMBL13041182 | 0.77 | BACE1 (0.38) | BACE1MAPK1ALDH1A1LMNA | |
| SCHEMBL13041181 | 0.72 | PDE5A (0.42) | — | |
| SCHEMBL4239991 | 0.70 | BACE1 (0.57) | BACE1SCD5MAPK1TMEM97SIGMAR1 | |
| SCHEMBL27224160 | 0.70 | BACE1 (0.57) | BACE1SCD5TSHRKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8354545-B2 | 3,4-substituted pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20100280009-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2010-11-04 | — | — | 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-20100280009-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | BACE1, BACE2, PSEN1 | BACE1 1/4885SCD5 685/4885MAPK1 3490/4885 |
“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.