Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | AKT1 | P31749 | 3/20 | 0.46 |
| ▸ | TACR3 | P29371 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8278320 | 1.00 | CA12 (0.48) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL16168412 | 0.90 | CA12 (0.47) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL1350802 | 0.88 | CA12 (0.50) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL1552723 | 0.88 | CA12 (0.50) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL1350805 | 0.88 | CA12 (0.50) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL2210451 | 0.87 | CA12 (0.49) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL2210445 | 0.87 | CA12 (0.49) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL12993700 | 0.86 | CA12 (0.44) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL1552712 | 0.86 | TACR3 (0.48) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL3505661 | 0.86 | TACR3 (0.48) | CA12CA1CA7CA14AKT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1994009031-A1 | ANALOGUES OF CHOLECYSTOKININ (30-33) CONTAINING AN ALPHA-SUBSTITUTED AMINOACID | WARNER-LAMBERT COMPANY (US) | 1994-04-28 | — | — | 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-20080015233-A1 | 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | BACE1, BACE2, PSEN2 | CA12 4232/4885CA1 1803/4885CA7 3926/4885 |
“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.