Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | F13A1 | P00488 | 1/20 | 0.36 |
| ▸ | PTPRB | P23467 | 2/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 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 | |
|---|---|---|---|---|
| SCHEMBL6506768 | 1.00 | ESR1 (0.42) | ESR1BLMESR2MEN1TSHR | |
| SCHEMBL6507108 | 0.88 | MMP8 (0.39) | ESR1BLMESR2MEN1TSHR | |
| SCHEMBL6507111 | 0.88 | MMP8 (0.39) | ESR1BLMESR2MEN1TSHR | |
| SCHEMBL6509010 | 0.85 | ESR1 (0.40) | ESR1BLMESR2MEN1TSHR | |
| SCHEMBL6501851 | 0.84 | MMP8 (0.42) | BLMMEN1KMT2APTPRBMMP8 | |
| SCHEMBL6501855 | 0.84 | MMP8 (0.42) | BLMMEN1KMT2APTPRBMMP8 | |
| SCHEMBL6514361 | 0.83 | ESR1 (0.48) | ESR1BLMESR2MEN1TSHR | |
| SCHEMBL3665931 | 0.75 | ESR1 (0.53) | ESR1BLMESR2MEN1TSHR | |
| SCHEMBL9285117 | 0.72 | BLM (0.53) | ESR1BLMESR2MEN1TSHR | |
| SCHEMBL503526 | 0.72 | BLM (0.67) | ESR1BLMESR2MEN1TSHR |
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 |