Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ASPH | Q12797 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 4/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL940864 | 0.79 | RXRB (0.54) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL31000476 | 0.79 | RXRB (0.54) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3036944 | 0.78 | ASPH (0.59) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7026695 | 0.78 | CES2 (0.50) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL334641 | 0.78 | KEAP1 (0.52) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL424263 | 0.78 | CES2 (0.78) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL187787 | 0.78 | ALDH1A1 (0.57) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL29334051 | 0.77 | ASPH (0.42) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL30748715 | 0.76 | ASPH (0.57) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL22164128 | 0.76 | ASPH (0.57) | CES2KDM4EALDH1A1HPGDHSD17B10 |
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-2012029942-A1 | CYCLIC AMIDE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2012-03-08 | — | — | WO | disclosed |