Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 15/20 | 0.66 |
| ▸ | HSD17B1 | P14061 | 14/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.57 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29431686 | 1.00 | HSD17B2 (0.66) | HSD17B2HSD17B1CYP3A4CYP2C9ESR1 | |
| SCHEMBL21228152 | 1.00 | HSD17B2 (0.66) | HSD17B2HSD17B1CYP3A4CYP2C9ESR1 | |
| SCHEMBL13231660 | 0.84 | PIK3CD (0.47) | HSD17B2HSD17B1 | |
| SCHEMBL18827473 | 0.82 | HSD17B2 (0.50) | HSD17B2HSD17B1CYP3A4CYP2C9 | |
| SCHEMBL29431804 | 0.81 | HSD17B1 (0.59) | HSD17B2HSD17B1CYP3A4CYP2C9ESR1 | |
| SCHEMBL2757248 | 0.81 | MAP4K4 (0.46) | — | |
| SCHEMBL23249811 | 0.80 | HSD17B1 (0.42) | HSD17B2HSD17B1 | |
| SCHEMBL29890188 | 0.80 | HSD17B1 (0.42) | HSD17B2HSD17B1 | |
| SCHEMBL1181050 | 0.79 | HSD17B1 (1.00) | HSD17B2HSD17B1CYP3A4CYP2C9ESR1 | |
| SCHEMBL10165304 | 0.79 | TAAR1 (0.50) | CYP3A4ESR2 |
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-111094300-B | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-09-16 | — | — | CN | disclosed |