Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.32 |
| ▸ | DUT | P33316 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL734855 | 1.00 | CA1 (0.33) | CA1CA2BTN3A1DUT | |
| SCHEMBL838771 | 0.90 | CA1 (0.35) | CA1CA2BTN3A1DUT | |
| SCHEMBL1485422 | 0.82 | BTN3A1 (0.33) | CA1CA2BTN3A1 | |
| SCHEMBL3179303 | 0.82 | TET2 (0.38) | DUT | |
| SCHEMBL32668778 | 0.82 | BTN3A1 (0.33) | CA1CA2BTN3A1 | |
| SCHEMBL1485424 | 0.82 | BTN3A1 (0.33) | CA1CA2BTN3A1 | |
| SCHEMBL3179292 | 0.82 | TET2 (0.38) | DUT | |
| SCHEMBL1067509 | 0.81 | IDO1 (0.34) | CA1CA2BTN3A1 | |
| SCHEMBL1067514 | 0.81 | IDO1 (0.34) | CA1CA2BTN3A1 | |
| SCHEMBL734525 | 0.81 | CA1 (0.33) | CA1CA2BTN3A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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-2011048032-A1 | DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-28 | — | — | WO | disclosed |
| US-20110092698-A1 | NOVEL HETEROCYCLYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2011-04-21 | — | — | US | disclosed |
| EP-2307387-A1 | NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | 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-20110092698-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR1 | CA1 4074/4885CA2 3072/4885BTN3A1 1634/4885 |
“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.