Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.71 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | FYN | P06241 | 6/20 | 0.46 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21228179 | 1.00 | HSD17B1 (0.71) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1180306 | 0.84 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2C9FYN | |
| SCHEMBL23601693 | 0.82 | KDR (0.48) | HSD17B1HSD17B2METAP2KDM1A | |
| SCHEMBL16675784 | 0.80 | FYN (0.49) | HSD17B1HSD17B2FYN | |
| SCHEMBL29462100 | 0.80 | FYN (0.49) | HSD17B1HSD17B2FYN | |
| SCHEMBL24721117 | 0.79 | IDO1 (0.48) | HSD17B1HSD17B2KDM1AHDAC6 | |
| SCHEMBL5673332 | 0.79 | HSD17B1 (0.97) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL24721383 | 0.78 | HSD17B1 (0.41) | HSD17B1HSD17B2 | |
| SCHEMBL30186373 | 0.78 | HSD17B1 (0.79) | HSD17B1HSD17B2CYP3A4CYP2C9FYN | |
| SCHEMBL29431722 | 0.77 | HSD17B1 (0.55) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 |
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 |