Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.36 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.35 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL734617 | 1.00 | KMT2A (0.42) | KMT2AHRH3BIRC2SMAD3CHRM2 | |
| Hydrochloric Acid SCHEMBL1570648 | 0.99 | KMT2A (0.41) | KMT2AHRH3BIRC2SMAD3CHRM2 | |
| Hydrochloric Acid SCHEMBL1570650 | 0.99 | KMT2A (0.41) | KMT2AHRH3BIRC2SMAD3CHRM2 | |
| Hydrochloric Acid SCHEMBL1570762 | 0.76 | KMT2A (0.31) | KMT2A | |
| Hydrochloric Acid SCHEMBL1570759 | 0.76 | KMT2A (0.31) | KMT2A | |
| SCHEMBL734499 | 0.76 | CXCR4 (0.47) | KMT2AHRH3CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL1570858 | 0.75 | CXCR4 (0.46) | HRH3LMNA | |
| SCHEMBL1568930 | 0.74 | HRH3 (0.38) | HRH3CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL1568926 | 0.74 | HRH3 (0.38) | HRH3CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL3169431 | 0.73 | KMT2A (0.43) | KMT2AHRH3SMAD3 |
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 | KMT2A 4637/4885HRH3 115/4885BIRC2 3998/4885 |
| US-20100016282-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | KMT2A 4595/4885HRH3 129/4885BIRC2 3967/4885 |
“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.