Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.56 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20207638 | 0.80 | CA2 (0.52) | HCAR2KEAP1NFE2L2GFPT1CA1 | |
| SCHEMBL20214844 | 0.77 | ZDHHC7 (0.46) | HCAR2KEAP1NFE2L2CA1CA2 | |
| Dimethyl Maleate SCHEMBL6417885 | 0.76 | HCAR2 (0.77) | HCAR2KEAP1NFE2L2GFPT1CA1 | |
| Dimethyl Maleate SCHEMBL20508358 | 0.76 | HCAR2 (0.77) | HCAR2KEAP1NFE2L2GFPT1CA1 | |
| Dimethyl Maleate SCHEMBL27720952 | 0.75 | NFE2L2 (1.00) | HCAR2KEAP1NFE2L2GFPT1CA1 | |
| Dimethyl Fumarate SCHEMBL11668350 | 0.75 | NFE2L2 (1.00) | HCAR2KEAP1NFE2L2GFPT1CA1 | |
| Dimethyl Fumarate SCHEMBL28128958 | 0.75 | NFE2L2 (1.00) | HCAR2KEAP1NFE2L2GFPT1CA1 | |
| Dimethyl Fumarate SCHEMBL41836 | 0.75 | NFE2L2 (1.00) | HCAR2KEAP1NFE2L2GFPT1CA1 | |
| Dimethyl Maleate SCHEMBL75864 | 0.75 | NFE2L2 (1.00) | HCAR2KEAP1NFE2L2GFPT1CA1 | |
| Dimethyl Fumarate SCHEMBL41835 | 0.75 | NFE2L2 (1.00) | HCAR2KEAP1NFE2L2GFPT1CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1285352-A | Preparation for lignal like material | SHIONOGI & CO (JP) | 2001-02-28 | — | — | CN | disclosed |
| US-5731455-A | ALKYL 2-ALKYLACYLACRYLATE CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS | SHIONOGI & CO., LTD. (JP) | 1998-03-24 | — | — | US | disclosed |
| CN-1104622-A | Preparation of lignan analogues | SHIONOGI & CO (JP) | 1995-07-05 | — | — | CN | disclosed |