Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | PPARA | Q07869 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CASP9 | P55211 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6813642 | 0.89 | ESR1 (0.52) | ESR1PPARAPPARGALDH1A1ABCB1 | |
| SCHEMBL3689530 | 0.87 | ESR1 (0.51) | ESR1PPARAPPARGALDH1A1ABCB1 | |
| SCHEMBL14526028 | 0.87 | ESR1 (0.55) | ESR1ALDH1A1ABCB1KDM4EHPGD | |
| SCHEMBL5522834 | 0.85 | ESR1 (0.54) | ESR1ALDH1A1ABCB1KDM4EHPGD | |
| SCHEMBL14526030 | 0.85 | ESR1 (0.54) | ESR1ALDH1A1ABCB1KDM4EHPGD | |
| SCHEMBL14526024 | 0.82 | ESR1 (0.52) | ESR1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL6503348 | 0.81 | ESR1 (0.59) | ESR1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL29843916 | 0.81 | ESR1 (0.59) | ESR1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL13133449 | 0.81 | ESR1 (0.47) | ESR1ALDH1A1FFAR4MEN1KMT2A | |
| SCHEMBL14526022 | 0.80 | S1PR2 (0.57) | ESR1PPARAPPARGALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2794556-B1 | BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER | GLEASON JAMES L (CA) | 2018-04-18 | — | — | EP | disclosed |