Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL3730723 | 1.00 | BACE1 (0.71) | BACE1SMN1; SMN2ALDH1A1HPGDTSHR | |
| SCHEMBL3742009 | 0.94 | BACE1 (0.73) | BACE1SMN1; SMN2ALDH1A1TSHRJAK2 | |
| SCHEMBL3729012 | 0.91 | BACE1 (0.64) | BACE1SMN1; SMN2ALDH1A1HPGDTSHR | |
| SCHEMBL3729010 | 0.91 | BACE1 (0.64) | BACE1SMN1; SMN2ALDH1A1HPGDTSHR | |
| SCHEMBL3730957 | 0.89 | BACE1 (0.59) | BACE1SMN1; SMN2ALDH1A1HPGDTSHR | |
| SCHEMBL3742380 | 0.89 | BACE1 (0.59) | BACE1SMN1; SMN2ALDH1A1HPGDTSHR | |
| SCHEMBL3732186 | 0.88 | BACE1 (0.75) | BACE1ALDH1A1HPGDTMEM97SIGMAR1 | |
| SCHEMBL3736398 | 0.88 | BACE1 (0.75) | BACE1ALDH1A1HPGDTMEM97SIGMAR1 | |
| SCHEMBL13041213 | 0.88 | BACE1 (0.68) | BACE1TMEM97SIGMAR1MAPK1CYP2D6 | |
| SCHEMBL3736070 | 0.87 | BACE1 (0.81) | BACE1SMN1; SMN2ALDH1A1TMEM97SIGMAR1 |
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 1/4885SMN1; SMN2 2112/4885ALDH1A1 1360/4885 |
“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.