Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 8/20 | 0.65 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | SNCA | P37840 | 3/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.53 |
| ▸ | ESR1 | P03372 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL13032504 | 0.86 | SNCA (0.73) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12230849 | 0.82 | PGR (0.47) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL15624540 | 0.81 | HSD17B1 (0.61) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1180399 | 0.79 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL14899400 | 0.77 | ALDH1A1 (0.59) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16549554 | 0.77 | HSD17B1 (0.61) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL29696046 | 0.76 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL272034 | 0.76 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL29429121 | 0.76 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL26979937 | 0.76 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-8431610-B2 | Alkanoylamino benzamide aniline HDAC inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2013-04-30 | — | — | US | disclosed |