Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.50 |
| ▸ | PTPRB | P23467 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | LATS1 | O95835 | 2/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4787534 | 0.89 | CYP17A1 (0.50) | CYP17A1PTPRBRAB9ALATS1AAK1 | |
| SCHEMBL2023642 | 0.89 | CYP17A1 (0.50) | CYP17A1PTPRBRAB9ALATS1AAK1 | |
| SCHEMBL2210451 | 0.85 | CA12 (0.49) | PTPRB | |
| SCHEMBL2210445 | 0.85 | CA12 (0.49) | PTPRB | |
| SCHEMBL17151908 | 0.84 | PTPRB (0.47) | CYP17A1PTPRB | |
| SCHEMBL14477215 | 0.84 | PTPRB (0.47) | CYP17A1PTPRB | |
| SCHEMBL27540464 | 0.84 | CYP17A1 (0.53) | CYP17A1PTPRBRAB9ALATS1AAK1 | |
| SCHEMBL31195633 | 0.83 | PTPRB (0.46) | PTPRBPOLB | |
| SCHEMBL16173580 | 0.80 | PTPRB (0.49) | PTPRBRAB9APOLBNR1H4ACACB | |
| SCHEMBL14342964 | 0.80 | ELANE (0.49) | CYP17A1PTPRBRAB9AACACB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
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 | CYP17A1 1313/4885PTPRB 2163/4885RAB9A 2339/4885 |
“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.