Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP14 | P50281 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24681299 | 0.84 | RAPGEF4 (0.44) | CYP3A4LMNASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL4272605 | 0.84 | TSHR (0.54) | LMNASMN1; SMN2ALDH1A1MEN1NPC1 | |
| SCHEMBL12744490 | 0.83 | ALDH1A1 (0.63) | MMP8MMP14CA14CYP3A4EPHX1 | |
| SCHEMBL10888793 | 0.81 | MMP8 (0.46) | MMP8MMP14CA14CYP3A4EPHX1 | |
| SCHEMBL1556414 | 0.80 | KDR (0.53) | LMNAALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL1587396 | 0.80 | KDR (0.53) | LMNAALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL1555171 | 0.80 | TRPV3 (0.41) | LMNA | |
| SCHEMBL1586282 | 0.80 | TRPV3 (0.41) | LMNA | |
| SCHEMBL9703791 | 0.80 | CYP3A4 (0.53) | MMP8MMP14CA14CYP3A4EPHX1 | |
| SCHEMBL11442742 | 0.79 | MMP8 (0.44) | MMP8MMP14CA14CYP3A4EPHX1 |
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 | MMP8 1534/4885MMP14 4537/4885CA14 3471/4885 |
“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.