Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 8/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL734564 | 0.73 | DRD2 (0.45) | NOTUMDRD2DRD3KCNH2ROCK2 | |
| SCHEMBL734557 | 0.73 | DRD2 (0.47) | DRD2DRD3KCNH2 | |
| SCHEMBL735891 | 0.73 | DRD2 (0.47) | DRD2DRD3KCNH2 | |
| SCHEMBL756909 | 0.73 | DRD2 (0.47) | DRD2DRD3KCNH2 | |
| SCHEMBL734556 | 0.73 | DRD2 (0.47) | DRD2DRD3KCNH2 | |
| SCHEMBL734450 | 0.72 | NOTUM (0.44) | PIK3C3NOTUMDRD2DRD3KCNH2 | |
| SCHEMBL27832133 | 0.72 | NOTUM (0.42) | NOTUMDRD2DRD3KCNH2HCRTR1 | |
| SCHEMBL27812001 | 0.70 | NOTUM (0.43) | NOTUMDRD2DRD3KCNH2HCRTR1 | |
| SCHEMBL27933836 | 0.70 | NOTUM (0.45) | NOTUMDRD2DRD3KCNH2HCRTR1 | |
| SCHEMBL27832141 | 0.69 | NOTUM (0.42) | NOTUMDRD2DRD3KCNH2HCRTR1 |
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 | PIK3C3 2862/4885NOTUM 4344/4885DRD2 349/4885 |
“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.