Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | SMO | Q99835 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26248321 | 1.00 | SCN9A (0.51) | SCN9ACHRM4LMNAMAPK10SMO | |
| SCHEMBL26248126 | 0.93 | SCN9A (0.53) | SCN9ACHRM4SMOHRH4GRIN2D | |
| SCHEMBL26248246 | 0.91 | SCN9A (0.55) | SCN9ACHRM4SMOHRH4GRIN2D | |
| SCHEMBL29501346 | 0.91 | SCN9A (0.48) | SCN9ACHRM4SMOHRH4ADRA1A | |
| SCHEMBL26248210 | 0.91 | SCN9A (0.48) | SCN9ACHRM4SMOHRH4ADRA1A | |
| SCHEMBL29501356 | 0.91 | SCN9A (0.48) | SCN9ACHRM4SMOHRH4ADRA1A | |
| SCHEMBL29501402 | 0.90 | CHRM4 (0.50) | SCN9ACHRM4ADRA1AABL1BCR | |
| SCHEMBL29501486 | 0.90 | SCN9A (0.48) | SCN9ACHRM4SMOHRH4GRIN2D | |
| SCHEMBL26248295 | 0.90 | SCN9A (0.48) | SCN9ACHRM4SMOHRH4GRIN2D | |
| SCHEMBL26248430 | 0.90 | CHRM4 (0.50) | SCN9ACHRM4ADRA1AABL1BCR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022048631-A1 | COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-03-10 | — | — | WO | disclosed |