Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28779476 | 0.80 | CYP2A6 (0.39) | GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28779468 | 0.79 | NPC1 (0.41) | — | |
| SCHEMBL18361192 | 0.73 | PTGDR2 (0.46) | CA2GRM5CDK2PTGDR2CCNE2 | |
| SCHEMBL28779470 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL28779497 | 0.70 | CYP2A6 (0.38) | — | |
| SCHEMBL28779489 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL16343938 | 0.68 | PTGDR2 (0.49) | GRM5CDK2PTGDR2CCNE2EGFR | |
| SCHEMBL29788195 | 0.68 | PTGDR2 (0.49) | GRM5CDK2PTGDR2CCNE2EGFR | |
| SCHEMBL17523404 | 0.68 | PTGS2 (0.43) | CA1CA2 | |
| SCHEMBL17351675 | 0.68 | PTGS2 (0.43) | CA1CA2 |
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-114591290-A | Preparation method of substituted benzo [ B ] naphthalene benzene [2, 3-D ] thiophene derivative and derivative | 陕西维世诺新材料有限公司 | 2022-06-07 | — | — | CN | disclosed |