Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MASP2 | O00187 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1399994 | 1.00 | CYP1A2 (0.39) | CYP1A2HSD17B10MASP2F2ESR1 | |
| SCHEMBL4948190 | 0.83 | RXRA (0.42) | HSD17B10KDM4EALDH1A1MAPTPKM | |
| SCHEMBL3611755 | 0.83 | RXRA (0.42) | HSD17B10KDM4EALDH1A1MAPTPKM | |
| SCHEMBL3611761 | 0.83 | RXRA (0.42) | HSD17B10KDM4EALDH1A1MAPTPKM | |
| SCHEMBL1400110 | 0.77 | PKM (0.37) | PKMMAOB | |
| SCHEMBL2314407 | 0.71 | HTR2B (0.38) | ESR1ESR2KDM4EMAPTALOX5 | |
| SCHEMBL2314399 | 0.71 | HTR2B (0.38) | ESR1ESR2KDM4EMAPTALOX5 | |
| SCHEMBL3599366 | 0.71 | RXRA (0.41) | HSD17B10KDM4EALDH1A1MAPTPKM | |
| SCHEMBL6859855 | 0.70 | KDM4E (0.42) | ESR1ESR2KDM4EALDH1A1HPGD | |
| SCHEMBL3596227 | 0.69 | RAB9A (0.39) | KDM4EALDH1A1HPGDMAPTPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1609786-B1 | 5-alkenone-3,3-dimethyl-benzoxepines derivatives useful for the preparation of antidiabetic pentadienoic acids | MERCK SANTE SAS (FR) | 2011-08-03 | — | — | EP | disclosed |
| EP-1609786-A1 | New 5-alkenone-3,3-dimethyl-benzoxepines derivatives useful for the preparation of antidiabetic pentadienoic acids | Merck Sante (FR) | 2005-12-28 | — | — | EP | disclosed |