Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 3/20 | 0.34 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.32 |
| ▸ | APOL1 | O14791 | 1/20 | 0.31 |
| ▸ | HPGDS | O60760 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5652881 | 1.00 | EPHX2 (0.49) | EPHX2KDM1APDCD1CD274DDB1 | |
| SCHEMBL24613090 | 0.75 | EPHX2 (0.64) | EPHX2KDM1APDCD1CD274DDB1 | |
| SCHEMBL2259759 | 0.74 | EPHX2 (0.58) | EPHX2KDM1APDCD1CD274DDB1 | |
| SCHEMBL6668265 | 0.70 | KDM1A (0.48) | EPHX2KDM1ADDB1CRBNNAMPT | |
| SCHEMBL21290463 | 0.70 | EPHX2 (0.54) | EPHX2KDM1APDCD1CD274DDB1 | |
| SCHEMBL5648316 | 0.70 | ALDH1A1 (0.45) | KDM1ACD274HTR2C | |
| SCHEMBL31055717 | 0.69 | EPHX2 (0.74) | EPHX2KDM1APDCD1CD274OPRM1 | |
| SCHEMBL5651150 | 0.69 | OPRK1 (0.36) | PDE7B | |
| SCHEMBL5651151 | 0.69 | OPRK1 (0.36) | PDE7B | |
| SCHEMBL18924762 | 0.68 | EPHX2 (0.51) | EPHX2KDM1APDCD1CD274DDB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8394837-B2 | 2,3,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-03-12 | — | — | US | disclosed |
| US-8394837-B2 | 2,3,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-03-12 | — | — | US | disclosed |
| EP-1817311-B1 | 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-10-17 | — | — | EP | disclosed |
| US-20070293497-A1 | 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease | MERCK SHARP & DOHME LLC | 2007-12-20 | — | — | US | disclosed |
| US-20070293497-A1 | 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease | MERCK SHARP & DOHME LLC | 2007-12-20 | — | — | US | disclosed |
| WO-2006057945-A2 | 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2006-06-01 | — | — | 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-20070293497-A1 | 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease | BACE1, BACE2, PSEN2 | EPHX2 405/4885KDM1A 2579/4885PDCD1 2239/4885 |
“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.