Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.53 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | GRK5 | P34947 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 2/20 | 0.49 |
| ▸ | ACKR3 | P25106 | 7/20 | 0.48 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.47 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | PAK4 | O96013 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21625732 | 1.00 | HSD17B1 (0.53) | HSD17B1HSD17B2DAPK1MAPK1POLB | |
| Hydrochloric Acid SCHEMBL30977644 | 0.99 | HSD17B1 (0.52) | HSD17B1HSD17B2DAPK1MAPK1POLB | |
| Hydrochloric Acid SCHEMBL21625719 | 0.99 | HSD17B1 (0.52) | HSD17B1HSD17B2DAPK1MAPK1POLB | |
| SCHEMBL21625723 | 0.89 | HSD17B1 (0.51) | HSD17B1HSD17B2ACKR3CHEK1HTR2C | |
| SCHEMBL30977656 | 0.89 | HSD17B1 (0.51) | HSD17B1HSD17B2ACKR3CHEK1HTR2C | |
| SCHEMBL21625714 | 0.88 | HSD17B1 (0.50) | HSD17B1HSD17B2DAPK1POLBRAD52 | |
| Hydrochloric Acid SCHEMBL30977641 | 0.88 | HSD17B1 (0.50) | HSD17B1HSD17B2MAPK1ACKR3CHEK1 | |
| Hydrochloric Acid SCHEMBL21625739 | 0.88 | HSD17B1 (0.50) | HSD17B1HSD17B2MAPK1ACKR3CHEK1 | |
| SCHEMBL30977647 | 0.88 | HSD17B1 (0.50) | HSD17B1HSD17B2DAPK1POLBRAD52 | |
| Hydrochloric Acid SCHEMBL21625709 | 0.87 | HSD17B1 (0.49) | HSD17B1HSD17B2DAPK1POLBRAD52 |
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-112437773-B | Catechol derivatives or salts thereof, process for preparing the same and pharmaceutical compositions containing the same | 六合医药科技有限公司 | 2024-06-11 | — | — | CN | disclosed |