Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.47 |
| ▸ | DRD3 | P35462 | 7/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | ACP1 | P24666 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL756909 | 1.00 | DRD2 (0.47) | DRD2DRD3KCNH2HRH3ACP1 | |
| SCHEMBL734557 | 1.00 | DRD2 (0.47) | DRD2DRD3KCNH2HRH3ACP1 | |
| SCHEMBL735891 | 1.00 | DRD2 (0.47) | DRD2DRD3KCNH2HRH3ACP1 | |
| SCHEMBL735760 | 0.86 | DRD3 (0.56) | DRD2DRD3HTR7 | |
| SCHEMBL733981 | 0.86 | DRD3 (0.56) | DRD2DRD3HTR7 | |
| SCHEMBL733980 | 0.86 | DRD3 (0.56) | DRD2DRD3HTR7 | |
| SCHEMBL754745 | 0.86 | DRD3 (0.56) | DRD2DRD3HTR7 | |
| SCHEMBL734391 | 0.83 | DRD2 (0.40) | DRD2DRD3KCNH2 | |
| SCHEMBL735583 | 0.83 | DRD2 (0.40) | DRD2DRD3KCNH2 | |
| SCHEMBL734792 | 0.83 | DRD2 (0.40) | DRD2DRD3KCNH2 |
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 | DRD2 349/4885DRD3 165/4885KCNH2 2018/4885 |
“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.