Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9834528 | 0.84 | PPIA (0.46) | ALDH1A1MEN1KMT2ATSHRMAPT | |
| SCHEMBL28466349 | 0.80 | ESR1 (0.36) | ADRB2ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL377136 | 0.77 | HTT (0.35) | ADRB2ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL3530370 | 0.73 | TOP2A (0.42) | ALDH1A1HTTMEN1KMT2AL3MBTL1 | |
| SCHEMBL7714176 | 0.73 | NAAA (0.39) | ALDH1A1MEN1KMT2AL3MBTL1CYP2C9 | |
| SCHEMBL7619339 | 0.73 | MAPK1 (0.37) | ALDH1A1MEN1KMT2ATSHRL3MBTL1 | |
| SCHEMBL576279 | 0.73 | L3MBTL1 (0.45) | ALDH1A1HTTMEN1KMT2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL28211399 | 0.71 | L3MBTL1 (0.44) | HTTMEN1KMT2AL3MBTL1MAOA | |
| SCHEMBL7353378 | 0.70 | ELANE (0.40) | MEN1KMT2ATSHRL3MBTL1MAOA | |
| SCHEMBL10442397 | 0.70 | MAOA (0.48) | HTTMEN1KMT2AL3MBTL1MAOA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7816378-B2 | Cyclic ketal beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK SHARP & DOHME CORP. (US) | 2010-10-19 | — | — | US | disclosed |
| US-20090176836-A1 | Cyclic Ketal Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | MERCK SHARP & DOHME LLC | 2009-07-09 | — | — | US | disclosed |
| EP-1912963-A2 | CYCLIC KETAL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007019111-A2 | CYCLIC KETAL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-02-15 | — | — | 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-20090176836-A1 | Cyclic Ketal Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | BACE1, BACE2, PSEN1 | ADRB2 2070/4885ALDH1A1 2290/4885HTT 324/4885 |
“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.