Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.38 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.38 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.38 |
| ▸ | HSPA2 | P54652 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6160532 | 1.00 | HDAC1 (0.39) | HDAC1HDAC6ALDH1A1THRBCYP2C9 | |
| SCHEMBL6161299 | 0.93 | ALDH1A1 (0.44) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL6160534 | 0.93 | ALDH1A1 (0.44) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL6160013 | 0.93 | ALDH1A1 (0.44) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL6165693 | 0.89 | HDAC1 (0.38) | HDAC1HDAC6ALDH1A1THRBCYP2C9 | |
| SCHEMBL6165686 | 0.89 | HDAC1 (0.38) | HDAC1HDAC6ALDH1A1THRBCYP2C9 | |
| SCHEMBL6160954 | 0.89 | BIRC2 (0.43) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL6162653 | 0.87 | MMP12 (0.43) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL6162656 | 0.87 | MMP12 (0.43) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL6165492 | 0.87 | NPC1 (0.39) | HDAC1HDAC6ALDH1A1THRBCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0877740-B1 | THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY | ZAMBON SPA (IT) | 2005-03-30 | — | — | EP | disclosed |