Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 10/20 | 0.62 |
| ▸ | HSD17B2 | P37059 | 10/20 | 0.62 |
| ▸ | ESRRG | P62508 | 6/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PRF1 | P14222 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2556281 | 0.83 | HSD17B1 (0.49) | HSD17B1HSD17B2ESRRGESR2ESR1 | |
| SCHEMBL290143 | 0.83 | HSD17B1 (0.48) | HSD17B1HSD17B2CYP3A4CYP2C19 | |
| SCHEMBL28524259 | 0.81 | MGLL (0.50) | HSD17B1HSD17B2PRF1 | |
| SCHEMBL28529085 | 0.81 | HSD17B1 (0.47) | HSD17B1HSD17B2CNR1TP53MAPT | |
| SCHEMBL12107122 | 0.79 | HSD17B1 (0.50) | HSD17B1HSD17B2ESR2ESR1CYP3A4 | |
| SCHEMBL20764241 | 0.79 | HSD17B1 (0.72) | HSD17B1HSD17B2ESRRGESR2CNR1 | |
| SCHEMBL28523476 | 0.77 | HDAC6 (0.55) | HSD17B1HSD17B2CNR1CYP3A4CYP2D6 | |
| SCHEMBL1179817 | 0.76 | HSD17B1 (1.00) | HSD17B1HSD17B2ESRRGESR2CYP3A4 | |
| SCHEMBL28519933 | 0.75 | MGLL (0.47) | HSD17B1HSD17B2ESR2ESR1PRF1 | |
| SCHEMBL14332594 | 0.74 | HSD17B1 (0.61) | HSD17B1HSD17B2ESRRGESR2ESR1 |
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-108602834-B | Bruton's tyrosine kinase inhibitor | 北京盛诺基医药科技股份有限公司 | 2021-01-08 | — | — | CN | disclosed |