Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS5 | Q9UNA0 | 15/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | MMP14 | P50281 | 7/20 | 0.38 |
| ▸ | MMP2 | P08253 | 6/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL736112 | 1.00 | ADAMTS5 (0.40) | ADAMTS5CYP2D6CYP2C19DRD2DRD3 | |
| SCHEMBL736545 | 1.00 | ADAMTS5 (0.40) | ADAMTS5CYP2D6CYP2C19DRD2DRD3 | |
| SCHEMBL737169 | 0.93 | ADAMTS5 (0.36) | ADAMTS5DRD2DRD3MMP14MMP2 | |
| SCHEMBL733840 | 0.93 | ADAMTS5 (0.36) | ADAMTS5DRD2DRD3MMP14MMP2 | |
| SCHEMBL736169 | 0.93 | ADAMTS5 (0.36) | ADAMTS5DRD2DRD3MMP14MMP2 | |
| SCHEMBL733841 | 0.93 | ADAMTS5 (0.36) | ADAMTS5DRD2DRD3MMP14MMP2 | |
| SCHEMBL734841 | 0.91 | ADAMTS5 (0.36) | ADAMTS5DRD2DRD3MMP14MMP2 | |
| SCHEMBL734840 | 0.91 | ADAMTS5 (0.36) | ADAMTS5DRD2DRD3MMP14MMP2 | |
| SCHEMBL736584 | 0.90 | NOTUM (0.36) | ADAMTS5CYP2D6CYP2C19DRD2DRD3 | |
| SCHEMBL736585 | 0.90 | NOTUM (0.36) | ADAMTS5CYP2D6CYP2C19DRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | ADAMTS5 4707/4885CYP2D6 729/4885CYP2C19 672/4885 |
“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.