Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 8/20 | 0.44 |
| ▸ | CNR1 | P21554 | 7/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.41 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ABHD12 | Q8N2K0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL485840 | 0.88 | MRGPRX4 (0.47) | CNR2CNR1CYP3A4CYP3A5MEN1 | |
| SCHEMBL485790 | 0.87 | CXCR2 (0.47) | CXCR2CNR2CNR1CYP3A4CYP3A5 | |
| SCHEMBL485703 | 0.87 | MRGPRX4 (0.50) | CXCR2CNR2CNR1MEN1ALDH1A1 | |
| SCHEMBL485579 | 0.85 | CXCR2 (0.47) | CXCR2CNR2CNR1CYP3A4CYP3A5 | |
| Formic Acid SCHEMBL27712981 | 0.84 | MRGPRX4 (0.48) | CXCR2CNR2CNR1MEN1ALDH1A1 | |
| SCHEMBL485799 | 0.82 | MRGPRX4 (0.45) | MRGPRX4LMNA | |
| SCHEMBL485279 | 0.81 | CXCR2 (0.62) | CXCR2CNR2CNR1CYP3A4ALDH1A1 | |
| SCHEMBL485558 | 0.81 | CXCR2 (0.45) | CXCR2CYP3A4ALDH1A1MRGPRX4 | |
| SCHEMBL485687 | 0.80 | MRGPRX4 (0.45) | CNR2CNR1MRGPRX4LMNA | |
| Formic Acid SCHEMBL27693250 | 0.80 | MRGPRX4 (0.43) | MRGPRX4LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1836158-B1 | FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION | SANOFI AVENTIS DEUTSCHLAND (DE) | 2012-02-01 | — | — | EP | claimed |