Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 4/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28254059 | 0.84 | HSD17B1 (0.40) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL27556906 | 0.82 | HSD17B1 (0.44) | HSD17B1HSD17B2CYP3A4CYP2A6CYP2B6 | |
| Hydrogen Sulfide SCHEMBL27747421 | 0.81 | HSD17B1 (0.43) | HSD17B1HSD17B2CYP3A4CYP2A6HPGD | |
| SCHEMBL3282699 | 0.78 | HSD17B1 (0.41) | HSD17B1HSD17B2CYP3A4DYRK1ADYRK1B | |
| SCHEMBL7915311 | 0.78 | HSD17B1 (0.61) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16012707 | 0.76 | HPGD (0.39) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL19112124 | 0.76 | HSD17B1 (0.54) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11521235 | 0.75 | PRKDC (0.46) | HSD17B1HSD17B2CYP3A4HPGDDYRK1A | |
| Hydrogen Sulfide SCHEMBL27901345 | 0.75 | HSD17B1 (0.39) | HSD17B1HSD17B2CYP3A4DYRK1ADYRK1B | |
| SCHEMBL17570199 | 0.74 | HSD17B1 (0.62) | 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 |
|---|---|---|---|---|---|---|---|
| CN-104011054-B | As the thieno of potassium channel inhibitors and Furanopyrimidines class and pyridines | 森申有限公司 | 2016-08-24 | — | — | CN | disclosed |