Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | MIF | P14174 | 3/20 | 0.46 |
| ▸ | PTPRB | P23467 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 4/20 | 0.42 |
| ▸ | PPARA | Q07869 | 4/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.39 |
| ▸ | MDM4 | O15151 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 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 | |
|---|---|---|---|---|
| SCHEMBL6505326 | 1.00 | ESR1 (0.49) | ESR1ESR2MIFPTPRBPPARG | |
| SCHEMBL6507934 | 0.89 | ESR1 (0.51) | ESR1ESR2MIFPTPRBPPARG | |
| SCHEMBL6507938 | 0.89 | ESR1 (0.51) | ESR1ESR2MIFPTPRBPPARG | |
| SCHEMBL6507933 | 0.85 | ESR1 (0.50) | ESR1ESR2MIFPTPRBPPARG | |
| SCHEMBL6510040 | 0.85 | ESR1 (0.50) | ESR1ESR2MIFPTPRBPPARG | |
| SCHEMBL6380182 | 0.80 | ESR1 (0.67) | ESR1ESR2MIFPTPRBPPARG | |
| SCHEMBL6506722 | 0.79 | ESR1 (0.62) | ESR1ESR2MIFPTPRBPPARG | |
| SCHEMBL6511070 | 0.75 | ESR1 (0.48) | ESR1ESR2MIFPTPRBPPARG | |
| SCHEMBL6511074 | 0.75 | ESR1 (0.48) | ESR1ESR2MIFPTPRBPPARG | |
| SCHEMBL6506164 | 0.75 | ESR1 (0.61) | ESR1ESR2MIFPTPRBPPARG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005040127-A1 | NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2005-05-06 | — | — | WO | disclosed |