Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | FUCA1 | P04066 | 4/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20858886 | 0.89 | HTR2A (0.43) | HTR2AHRH1FUCA1SIGMAR1GAA | |
| SCHEMBL2019717 | 0.81 | HTR2C (0.64) | HTR2AFUCA1GAAMAPTHTR2C | |
| SCHEMBL2019718 | 0.81 | HTR2C (0.64) | HTR2AFUCA1GAAMAPTHTR2C | |
| Hydrochloric Acid SCHEMBL4523862 | 0.80 | HTR2C (0.62) | HTR2AFUCA1GAAMAPTHTR2C | |
| SCHEMBL91436 | 0.77 | BCHE (0.64) | SIGMAR1NPC1ALDH1A1LMNACYP1A2 | |
| SCHEMBL1967142 | 0.76 | HTR2A (0.56) | HTR2AHRH1SIGMAR1GAAMAPT | |
| SCHEMBL18828474 | 0.75 | SLC18A2 (0.47) | FUCA1 | |
| SCHEMBL283735 | 0.73 | SIGMAR1 (0.81) | SIGMAR1GAAMAPTATMTAAR1 | |
| SCHEMBL17667739 | 0.73 | EPHX2 (0.58) | HTR2AHRH1SIGMAR1GAAMAPT | |
| SCHEMBL273721 | 0.72 | SIGMAR1 (0.74) | SIGMAR1GAAMAPTATMTAAR1 |
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 |
| 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 |
| EP-1740581-B1 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-08-22 | — | — | EP | disclosed |
| US-7968571-B2 | 2,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's Disease | Merck, Sharp & Dohme, Corp. (US) | 2011-06-28 | — | — | US | disclosed |
| US-20080015233-A1 | 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | MERCK SHARP & DOHME LLC | 2008-01-17 | — | — | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 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 | HTR2A 1671/4885HRH1 1447/4885FUCA1 1102/4885 |
| US-20080015233-A1 | 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | BACE1, BACE2, PSEN2 | HTR2A 1524/4885HRH1 1664/4885FUCA1 1517/4885 |
“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.