Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.54 |
| ▸ | HSD17B1 | P14061 | 6/20 | 0.54 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.54 |
| ▸ | FYN | P06241 | 5/20 | 0.48 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | BCR | P11274 | 2/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL21228226 | 1.00 | DYRK1A (0.54) | DYRK1ACLK4HSD17B1HSD17B2FYN | |
| SCHEMBL2222925 | 0.83 | FYN (0.53) | HSD17B1HSD17B2FYNHSD17B13CYP3A4 | |
| SCHEMBL27807278 | 0.83 | DYRK1A (0.69) | DYRK1ACLK4FYNCYP3A4CYP2C9 | |
| SCHEMBL27773721 | 0.81 | CYP3A4 (0.58) | HSD17B1HSD17B2FYNHSD17B13CYP3A4 | |
| SCHEMBL29786794 | 0.81 | CLK4 (0.56) | DYRK1ACLK4CYP3A4CYP2C9METAP2 | |
| SCHEMBL28810989 | 0.81 | CLK4 (0.56) | DYRK1ACLK4CYP3A4CYP2C9METAP2 | |
| SCHEMBL2221994 | 0.79 | CLK4 (0.54) | DYRK1ACLK4FYNCYP3A4ABCG2 | |
| SCHEMBL3389945 | 0.79 | CLK4 (0.54) | DYRK1ACLK4CYP3A4CYP2C9ABL1 | |
| SCHEMBL3219419 | 0.79 | HSD17B1 (0.49) | HSD17B1HSD17B2HSD17B13 | |
| SCHEMBL22310395 | 0.79 | FYN (0.51) | DYRK1ACLK4FYN |
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 |