Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 4/20 | 0.57 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.57 |
| ▸ | ERN1 | O75460 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30977645 | 0.99 | HSD17B1 (0.56) | HSD17B1HSD17B2ERN1GAAMAPT | |
| SCHEMBL30977649 | 0.86 | HSD17B1 (0.64) | HSD17B1HSD17B2ERN1GAAMAPT | |
| Hydrochloric Acid SCHEMBL30977640 | 0.84 | HSD17B1 (0.62) | HSD17B1HSD17B2ERN1GAAMAPT | |
| SCHEMBL30977648 | 0.80 | HSD17B1 (0.52) | HSD17B1HSD17B2ERN1GAAMAPT | |
| SCHEMBL21625727 | 0.80 | HSD17B1 (0.52) | HSD17B1HSD17B2ERN1GAAMAPT | |
| SCHEMBL23982973 | 0.79 | ERN1 (0.53) | HSD17B1HSD17B2ERN1GAAMAPT | |
| SCHEMBL18573541 | 0.79 | HSD17B1 (0.59) | HSD17B1HSD17B2ERN1GAAMAPT | |
| SCHEMBL21637506 | 0.76 | HSD17B1 (0.47) | HSD17B1HSD17B2ERN1GAAMAPT | |
| SCHEMBL21625711 | 0.75 | HSD17B1 (0.47) | HSD17B1HSD17B2ERN1ALDH1A1HPGD | |
| SCHEMBL23222437 | 0.75 | IKBKB (0.55) | HSD17B1HSD17B2ERN1GAAMAPT |
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 |