Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | SLC5A1 | P13866 | 9/20 | 0.42 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL734584 | 0.82 | HTR2C (0.49) | BCL2A1 | |
| SCHEMBL20956923 | 0.76 | DRD2 (0.49) | NOTUMDRD2DRD3KCNH2OPRL1 | |
| SCHEMBL27832140 | 0.75 | NOTUM (0.41) | NOTUMSLC5A1DRD2DRD3KCNH2 | |
| SCHEMBL735198 | 0.72 | BCL2A1 (0.43) | BCL2A1 | |
| SCHEMBL734459 | 0.72 | BCL2A1 (0.54) | NOTUMBCL2A1 | |
| SCHEMBL736770 | 0.72 | PIK3C3 (0.42) | NOTUMDRD2DRD3KCNH2PIK3C3 | |
| SCHEMBL733779 | 0.72 | NOTUM (0.48) | NOTUMSLC5A1DRD2DRD3KCNH2 | |
| SCHEMBL734564 | 0.71 | DRD2 (0.45) | NOTUMDRD2DRD3KCNH2ROCK2 | |
| SCHEMBL8106701 | 0.70 | NOTUM (0.55) | NOTUM | |
| SCHEMBL27832133 | 0.70 | NOTUM (0.42) | NOTUMSLC5A1DRD2DRD3KCNH2 |
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 | NOTUM 4344/4885SLC5A1 2678/4885BCL2A1 2457/4885 |
“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.