Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 10/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26248704 | 1.00 | SCN9A (0.48) | SCN9ACHRM4CHRM2CHRM5CHRM1 | |
| SCHEMBL29501415 | 0.92 | SCN9A (0.53) | SCN9ACHRM4CHRM2CHRM5CHRM1 | |
| SCHEMBL29501346 | 0.92 | SCN9A (0.48) | SCN9ACHRM4CHRM2CHRM5CHRM1 | |
| SCHEMBL26248210 | 0.92 | SCN9A (0.48) | SCN9ACHRM4CHRM2CHRM5CHRM1 | |
| SCHEMBL26248733 | 0.91 | SCN9A (0.47) | SCN9ACHRM4CHRM2CHRM5CHRM1 | |
| SCHEMBL26248126 | 0.90 | SCN9A (0.53) | SCN9ACHRM4CHRM2CHRM5CHRM1 | |
| SCHEMBL29501470 | 0.89 | SCN9A (0.50) | SCN9ACHRM4CHRM2CHRM5CHRM1 | |
| SCHEMBL26249666 | 0.89 | SCN9A (0.50) | SCN9ACHRM4CHRM2CHRM5CHRM1 | |
| SCHEMBL29501447 | 0.88 | SCN9A (0.48) | SCN9ACHRM4CHRM2CHRM5CHRM1 | |
| SCHEMBL26248714 | 0.88 | SCN9A (0.48) | SCN9ACHRM4CHRM2CHRM5CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116113626-A | Compound with anti-tumor activity and application thereof | 上海翊石医药科技有限公司 | 2023-05-12 | — | — | CN | disclosed |
| 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 |