Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4629199 | 0.86 | CYP2C19 (0.53) | CYP2C19SMN1; SMN2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL253718 | 0.84 | ALDH1A1 (0.42) | CYP2C19SMN1; SMN2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL1273278 | 0.84 | ALDH1A1 (0.42) | CYP2C19SMN1; SMN2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL16972136 | 0.83 | ALDH1A1 (0.43) | CYP2C19SMN1; SMN2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL18425130 | 0.83 | ALDH1A1 (0.43) | CYP2C19SMN1; SMN2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL27189897 | 0.82 | HSD17B10 (0.54) | CYP2C19SMN1; SMN2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL17845998 | 0.80 | CYP2C19 (0.42) | CYP2C19SMN1; SMN2ALDH1A1HTTNCOA1 | |
| SCHEMBL21268612 | 0.79 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1KDM4EHSD17B10HTT | |
| SCHEMBL115980 | 0.79 | ROCK1 (0.55) | — | |
| SCHEMBL4598191 | 0.79 | ROCK1 (0.55) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1814537-B1 | MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2014-11-12 | — | — | EP | disclosed |
| US-7678783-B2 | Macrocyclic tertiary amine beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK SHARP & DOHME CORP. (US) | 2010-03-16 | — | — | US | disclosed |
| US-20080269302-A1 | Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | MERCK & CO., INC. (US) | 2008-10-30 | — | — | 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-20080269302-A1 | Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | BACE1, BACE2, PSEN1 | CYP2C19 1307/4885SMN1; SMN2 1326/4885ALDH1A1 1302/4885 |
“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.