Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 9/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL757229 | 0.87 | KCNH2 (0.46) | DRD2DRD3KCNH2HTR2AHTR2C | |
| SCHEMBL734907 | 0.87 | KCNH2 (0.46) | DRD2DRD3KCNH2HTR2AHTR2C | |
| SCHEMBL734908 | 0.87 | KCNH2 (0.46) | DRD2DRD3KCNH2HTR2AHTR2C | |
| SCHEMBL736431 | 0.87 | KCNH2 (0.46) | DRD2DRD3KCNH2HTR2AHTR2C | |
| SCHEMBL734859 | 0.83 | ADAMTS5 (0.41) | DRD2DRD3ADAMTS5NOTUMDPP4 | |
| SCHEMBL736702 | 0.83 | ADAMTS5 (0.41) | DRD2DRD3ADAMTS5NOTUMDPP4 | |
| SCHEMBL735228 | 0.83 | ADAMTS5 (0.41) | DRD2DRD3ADAMTS5NOTUMDPP4 | |
| SCHEMBL734858 | 0.83 | ADAMTS5 (0.41) | DRD2DRD3ADAMTS5NOTUMDPP4 | |
| SCHEMBL735760 | 0.82 | DRD3 (0.56) | DRD2DRD3HTR2A | |
| SCHEMBL733981 | 0.82 | DRD3 (0.56) | DRD2DRD3HTR2A |
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 7 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 |
| US-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | 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 |
| US-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-28 | — | — | US | 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 165/4885ADAMTS5 4707/4885 |
“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.