Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 8/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GRK5 | P34947 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21625714 | 1.00 | HSD17B1 (0.50) | HSD17B1HSD17B2ACHEACKR3HDAC6 | |
| Hydrochloric Acid SCHEMBL30977643 | 0.99 | HSD17B1 (0.49) | HSD17B1HSD17B2ACHEACKR3HDAC6 | |
| Hydrochloric Acid SCHEMBL21625709 | 0.99 | HSD17B1 (0.49) | HSD17B1HSD17B2ACHEACKR3HDAC6 | |
| SCHEMBL21625732 | 0.88 | HSD17B1 (0.53) | HSD17B1HSD17B2ACKR3HDAC6DAPK1 | |
| SCHEMBL30977651 | 0.88 | HSD17B1 (0.53) | HSD17B1HSD17B2ACKR3HDAC6DAPK1 | |
| Hydrochloric Acid SCHEMBL21625719 | 0.87 | HSD17B1 (0.52) | HSD17B1HSD17B2ACKR3HDAC6DAPK1 | |
| Hydrochloric Acid SCHEMBL30977644 | 0.87 | HSD17B1 (0.52) | HSD17B1HSD17B2ACKR3HDAC6DAPK1 | |
| Hydrochloric Acid SCHEMBL21625728 | 0.87 | HSD17B1 (0.44) | HSD17B1HSD17B2ACHEHDAC6 | |
| Hydrochloric Acid SCHEMBL30977642 | 0.87 | HSD17B1 (0.44) | HSD17B1HSD17B2ACHEHDAC6 | |
| SCHEMBL21625723 | 0.86 | HSD17B1 (0.51) | HSD17B1HSD17B2ACHEACKR3ALDH1A1 |
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 |