Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 4/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4743524 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP1A2RECQLMAPK1CYP2C9 | |
| SCHEMBL6466848 | 0.85 | CA12 (0.44) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| SCHEMBL12417601 | 0.75 | TRPA1 (0.59) | CYP3A4CYP1A2RECQLMAPK1CYP2C9 | |
| SCHEMBL4027524 | 0.74 | CYP3A4 (0.53) | CYP3A4CYP1A2RECQLMAPK1CYP2C9 | |
| SCHEMBL25270848 | 0.74 | NPC1 (0.46) | CYP1A2RECQLCYP2C9CYP2C19MMP8 | |
| SCHEMBL5948337 | 0.73 | CYP3A4 (0.67) | CYP3A4CYP1A2RECQLMAPK1CYP2C9 | |
| SCHEMBL4583207 | 0.72 | CYP3A4 (0.50) | CYP3A4CYP1A2RECQLMAPK1CYP2C9 | |
| SCHEMBL4352382 | 0.72 | LTA4H (0.50) | ALDH1A1SMN1; SMN2MAPTRAB9A | |
| SCHEMBL18342202 | 0.71 | CYP3A4 (0.47) | CYP3A4CYP1A2RECQLMAPK1CYP2C9 | |
| SCHEMBL11700362 | 0.71 | TRPA1 (0.46) | CYP3A4CYP1A2RECQLMAPK1CYP2C9 |
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 | CYP3A4 1045/4885CYP1A2 1158/4885RECQL 3009/4885 |
“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.