Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 6/20 | 0.54 |
| ▸ | DRD3 | P35462 | 4/20 | 0.48 |
| ▸ | DRD1 | P21728 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD5 | P21918 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL734497 | 0.90 | HTR7 (0.53) | HTR7DRD3DRD1HTR1ASIGMAR1 | |
| SCHEMBL734048 | 0.81 | HTR7 (0.65) | HTR7DRD3DRD1SIGMAR1DRD2 | |
| SCHEMBL734563 | 0.79 | HTR7 (0.60) | HTR7DRD3DRD1HTR1ADRD2 | |
| SCHEMBL3660752 | 0.75 | ALDH1A1 (0.64) | HTR7SIGMAR1ALDH1A1HTR3EHTR3B | |
| SCHEMBL5178743 | 0.75 | HTR7 (0.72) | HTR7DRD3DRD1HTR1ASIGMAR1 | |
| SCHEMBL1733940 | 0.75 | SIGMAR1 (0.60) | HTR7HTR1ASIGMAR1ALDH1A1HTR3E | |
| SCHEMBL736301 | 0.75 | POLB (0.48) | HTR7ALDH1A1MAPTLMNA | |
| SCHEMBL736300 | 0.75 | POLB (0.48) | HTR7ALDH1A1MAPTLMNA | |
| SCHEMBL28226906 | 0.75 | ALDH1A1 (0.77) | HTR1ASIGMAR1ALDH1A1HTR3EHTR3B | |
| SCHEMBL9581047 | 0.74 | HTR7 (0.71) | HTR7DRD3DRD1HTR1ASIGMAR1 |
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 | HTR7 408/4885DRD3 165/4885DRD1 406/4885 |
“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.