Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL6816562 | 0.85 | MMP1 (0.37) | CYP2C19DAOMMP1MMP2MMP9 | |
| SCHEMBL11628475 | 0.81 | HPGD (0.41) | MMP1MMP2MMP9MMP12NPC1 | |
| SCHEMBL4968147 | 0.78 | ALOX5 (0.44) | CYP2C19DAOMMP1MMP2MMP9 | |
| SCHEMBL3740253 | 0.78 | KMT2A (0.51) | CYP2C19DAOMMP1MMP2MMP9 | |
| SCHEMBL4560908 | 0.78 | SLC1A3 (0.44) | CYP2C19DAOMMP1MMP2MMP9 | |
| SCHEMBL6162434 | 0.76 | PPARA (0.47) | CYP2C19PPARGPPARAPOLBLMNA | |
| SCHEMBL21881381 | 0.76 | PPARA (0.47) | CYP2C19PPARGPPARAPOLBLMNA | |
| SCHEMBL6044891 | 0.72 | SLC1A3 (0.38) | CYP2C19DAOMMP1MMP2MMP9 | |
| SCHEMBL3874912 | 0.70 | ALOX5 (0.44) | DAOMMP1MMP2MMP9MMP12 | |
| SCHEMBL1036006 | 0.70 | — | — |
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-1322633-A2 | ARYLOXY ESTER AND ACID COMPOUNDS | Aventis Pharma Deutschland GmbH (DE) | 2003-07-02 | — | — | EP | disclosed |
| WO-2001092251-A2 | ARYLOXY ESTER AND ACID COMPOUNDS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2001-12-06 | — | — | WO | disclosed |
| US-4119727-A | HYPOTENSIVE AGENTS | ROUSSEL UCLAF (FR) | 1978-10-10 | — | — | US | disclosed |