Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 7/20 | 0.58 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | EFNA1 | P20827 | 1/20 | 0.58 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.58 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.58 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.58 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.58 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.58 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | VDR | P11473 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25187159 | 0.87 | GPBAR1 (0.63) | GPBAR1EPHA2HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL14763010 | 0.87 | GPBAR1 (0.63) | GPBAR1EPHA2HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL3676518 | 0.85 | GPBAR1 (0.61) | GPBAR1EPHA2HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL5352871 | 0.83 | GPBAR1 (0.57) | GPBAR1EPHA2HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL30094045 | 0.80 | GPBAR1 (0.63) | GPBAR1EPHA2HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL10569878 | 0.80 | GPBAR1 (0.76) | GPBAR1EPHA2HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL28106903 | 0.80 | GPBAR1 (0.76) | GPBAR1EPHA2HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL28642678 | 0.78 | GPBAR1 (0.56) | GPBAR1EPHA2HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL24896972 | 0.78 | GPBAR1 (0.63) | GPBAR1EPHA2HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL1720094 | 0.78 | GPBAR1 (0.63) | GPBAR1EPHA2HSD17B10AKR1B10AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112341516-B | 5, 6-epoxy steroid compound and preparation method and application thereof | 湖南科瑞生物制药股份有限公司 | 2022-07-15 | — | — | CN | disclosed |