Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20792262 | 0.89 | SLC7A5 (0.46) | KIF11TRPM8SLC7A5CETPSLC6A2 | |
| SCHEMBL1729766 | 0.85 | SLC6A2 (0.41) | TRPM8SLC7A5SLC6A2 | |
| SCHEMBL12261520 | 0.85 | SLC6A2 (0.41) | TRPM8SLC7A5SLC6A2 | |
| SCHEMBL14980651 | 0.85 | ANPEP (0.47) | KIF11TRPM8CETPSLC6A2 | |
| SCHEMBL1728053 | 0.85 | SLC6A2 (0.41) | TRPM8SLC7A5SLC6A2 | |
| SCHEMBL25370020 | 0.85 | TRPM8 (0.43) | TRPM8CETPSLC6A2 | |
| SCHEMBL30580205 | 0.85 | TRPM8 (0.43) | TRPM8CETPSLC6A2 | |
| SCHEMBL22965341 | 0.84 | TRPM8 (0.39) | KIF11TRPM8CETPSLC6A2 | |
| SCHEMBL22965295 | 0.84 | SCN4A (0.41) | KIF11TRPM8CETPSLC6A2 | |
| SCHEMBL22952786 | 0.84 | TRPM8 (0.39) | KIF11TRPM8CETPSLC6A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102112451-B | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2014-01-22 | — | — | CN | disclosed |
| US-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | disclosed |
| US-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-28 | — | — | 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-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | KIF11 2641/4885TRPM8 173/4885SLC7A5 2079/4885 |
“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.