Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA6 | P23280 | 2/20 | 0.32 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CASP2 | P42575 | 2/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4621138 | 0.85 | ALDH1A1 (0.33) | TSHRALDH1A1PAOX | |
| SCHEMBL10454333 | 0.81 | TSHR (0.48) | TSHRALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL342046 | 0.81 | CA12 (0.55) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| SCHEMBL12011756 | 0.80 | TSHR (0.46) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| SCHEMBL11508572 | 0.80 | TSHR (0.46) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| SCHEMBL9239450 | 0.79 | TSHR (0.46) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| SCHEMBL9240291 | 0.79 | TSHR (0.46) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| SCHEMBL9106221 | 0.79 | TSHR (0.46) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| SCHEMBL9239138 | 0.79 | TSHR (0.46) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| Tert-Butylamine SCHEMBL21925351 | 0.79 | TSHR (0.40) | TSHRALDH1A1PAOXCYP2C19MEN1 |
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-1740559-B1 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2014-10-15 | — | — | EP | disclosed |
| US-7847100-B2 | 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease | Merck, Sharp & Dohme, Inc. (US) | 2010-12-07 | — | — | US | disclosed |
| US-20070244119-A1 | 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | MERCK SHARP & DOHME LLC | 2007-10-18 | — | — | 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-20070244119-A1 | 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | BACE1, BACE2, PSEN1 | TSHR 4859/4885ALDH1A1 989/4885PAOX 2307/4885 |
“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.