Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.36 |
| ▸ | STAT6 | P42226 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MECP2 | P51608 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13302782 | 0.81 | ALOX5 (0.37) | ESR2MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL7546321 | 0.77 | CYP2C9 (0.34) | ESR2MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL28339729 | 0.74 | ESR2 (0.44) | ESR2MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL19851151 | 0.72 | MEN1 (0.64) | ESR2MEN1KMT2AALDH1A1HSD17B10 | |
| Water SCHEMBL27862353 | 0.70 | MEN1 (0.67) | ESR2MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL30208200 | 0.67 | KDM4E (0.42) | ESR2MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL27973276 | 0.67 | MEN1 (0.58) | ESR2MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL17369771 | 0.67 | ALDH1A1 (0.48) | ESR2MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL27512594 | 0.64 | MAOA (0.52) | ESR2MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL29089886 | 0.64 | ALDH1A1 (0.54) | ESR2MEN1KMT2AALDH1A1HSD17B10 |
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-1996031206-A2 | FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1996-10-10 | — | — | WO | disclosed |