Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.34 |
| ▸ | THRB | P10828 | 6/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 5/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4811503 | 0.70 | TSHR (0.42) | THRBTHRA | |
| SCHEMBL4697289 | 0.69 | AKR1B1 (0.36) | THRB | |
| SCHEMBL4815057 | 0.62 | BACE1 (0.48) | PTGDR2 | |
| SCHEMBL979293 | 0.61 | KDM4E (0.49) | CA5A | |
| SCHEMBL4811379 | 0.61 | AKR1B1 (0.49) | THRBTHRA | |
| SCHEMBL4695111 | 0.60 | MTNR1A (0.34) | PTGDR2 | |
| SCHEMBL27866714 | 0.60 | GABRA5 (0.43) | PTGDR2THRBTHRA | |
| SCHEMBL979826 | 0.59 | KLK1 (0.51) | CA5A | |
| SCHEMBL11103498 | 0.59 | CXCL8 (0.53) | — | |
| SCHEMBL29188157 | 0.59 | KDM4E (0.46) | THRBTHRA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569935-B1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | NOVEXEL (FR) | 2008-08-20 | — | — | EP | disclosed |
| EP-1569935-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | Aventis Pharma S.A. (FR) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052891-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2004-06-24 | — | — | WO | disclosed |