Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GGT1 | P19440 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25825834 | 0.80 | SPR (0.38) | ABHD6HDAC11ESR1MGLLESR2 | |
| SCHEMBL25604095 | 0.79 | ABHD6 (0.54) | ABHD6ACHEMAPK1ESR1TDP1 | |
| SCHEMBL25604256 | 0.76 | ABHD6 (0.57) | ABHD6ESR1TDP1ESR2L3MBTL1 | |
| SCHEMBL25604194 | 0.76 | ESR1 (0.51) | ABHD6ESR1TDP1ESR2L3MBTL1 | |
| SCHEMBL25825836 | 0.74 | ESR1 (0.36) | HDAC11ALDH1A1HPGDMAPK1ESR1 | |
| SCHEMBL11449146 | 0.65 | KDM4E (0.50) | ACHEKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL20096679 | 0.64 | HDAC11 (0.42) | HDAC11HSD17B10ALDH1A1HPGDUSP2 | |
| SCHEMBL506217 | 0.64 | ABHD6 (0.40) | ABHD6KDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL506664 | 0.63 | ABHD6 (0.63) | ABHD6ESR1ESR2DRD2 | |
| SCHEMBL7206062 | 0.63 | RXRA (0.50) | ACHEKDM4EHSD17B10ALDH1A1HPGD |
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-2023125944-A1 | COMPOUND CONTAINING HETEROCYCLIC RING | 正大天晴药业集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |