Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRB | P23467 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | DRD5 | P21918 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12621537 | 0.88 | PTPRB (0.41) | PTPRBCA12CA1CA7CA14 | |
| SCHEMBL2896129 | 0.82 | NQO2 (0.38) | PTPRBCA12CA1CA7CA14 | |
| SCHEMBL12621540 | 0.81 | CA12 (0.40) | PTPRBCA12CA1CA7CA14 | |
| SCHEMBL20103512 | 0.79 | PTPRB (0.46) | PTPRBMEN1KMT2ADRD2DRD1 | |
| SCHEMBL16168349 | 0.77 | CA12 (0.47) | CA12CA1CA7CA14 | |
| SCHEMBL22033107 | 0.76 | MEN1 (0.43) | PTPRBMEN1KMT2ACTSKCACNA1B | |
| SCHEMBL30460512 | 0.76 | MEN1 (0.43) | PTPRBMEN1KMT2ACTSKCACNA1B | |
| SCHEMBL781652 | 0.76 | NQO2 (0.47) | CA12CA1CA7CA14MEN1 | |
| SCHEMBL12621543 | 0.74 | PTPRB (0.46) | PTPRBCA12CA1CA7CA14 | |
| SCHEMBL29454657 | 0.74 | PPARG (0.44) | PTPRBDRD2DRD1DRD4DRD5 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1814537-B1 | MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2014-11-12 | — | — | EP | disclosed |
| US-7678783-B2 | Macrocyclic tertiary amine beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK SHARP & DOHME CORP. (US) | 2010-03-16 | — | — | US | disclosed |
| US-7678783-B2 | Macrocyclic tertiary amine beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK SHARP & DOHME CORP. (US) | 2010-03-16 | — | — | US | disclosed |
| US-20080269302-A1 | Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | MERCK & CO., INC. (US) | 2008-10-30 | — | — | US | disclosed |
| US-20080269302-A1 | Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | MERCK & CO., INC. (US) | 2008-10-30 | — | — | US | disclosed |
| EP-1814537-A2 | MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006055434-A2 | MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2006-05-26 | — | — | 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-20080269302-A1 | Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | BACE1, BACE2, PSEN1 | PTPRB 4028/4885CA12 3598/4885CA1 856/4885 |
“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.