Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1570858 | 0.98 | CXCR4 (0.46) | CXCR4HRH3HRH1ADRA1BADRA1A | |
| SCHEMBL1571028 | 0.88 | CHRM2 (0.40) | CXCR4HRH3ADRA1BADRA1AKMT2A | |
| Hydrochloric Acid SCHEMBL2923372 | 0.87 | CHRM2 (0.39) | CXCR4HRH3ADRA1BADRA1AKMT2A | |
| SCHEMBL7627401 | 0.83 | CXCR4 (0.50) | CXCR4ADRA1BADRA1AKMT2ACHRM2 | |
| SCHEMBL7816940 | 0.80 | ADRA1B (0.51) | CXCR4ADRA1BADRA1AKMT2ACHRM2 | |
| SCHEMBL7265729 | 0.79 | CYP1A2 (0.55) | ADRA1BADRA1AKMT2ACHRM2CHRM4 | |
| SCHEMBL152651 | 0.76 | CXCR4 (0.75) | CXCR4HRH3HRH1 | |
| SCHEMBL734617 | 0.76 | KMT2A (0.42) | HRH3KMT2ALMNACHRM2CHRM4 | |
| SCHEMBL734616 | 0.76 | KMT2A (0.42) | HRH3KMT2ALMNACHRM2CHRM4 | |
| SCHEMBL11728588 | 0.75 | ADRA1B (0.56) | HRH3ADRA1BADRA1AKMT2ACHRM2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2307387-B1 | NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE | HOFFMANN LA ROCHE (CH) | 2013-11-20 | — | — | EP | disclosed |
| US-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-8071586-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2011-12-06 | — | — | US | disclosed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| EP-2307387-A1 | NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | 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 |
| WO-2010006938-A1 | NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-21 | — | — | WO | disclosed |
| US-20100016282-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-21 | — | — | 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 (2 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 | CXCR4 8/4885HRH3 115/4885HRH1 246/4885 |
| US-20100016282-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | CXCR4 10/4885HRH3 129/4885HRH1 307/4885 |
“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.