Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 6/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | CFTR | P13569 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.32 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28909130 | 1.00 | SCN9A (0.36) | SCN9AACACBACACAHPGDSCFTR | |
| SCHEMBL25687466 | 1.00 | SCN9A (0.36) | SCN9AACACBACACAHPGDSCFTR | |
| SCHEMBL25687467 | 1.00 | SCN9A (0.36) | SCN9AACACBACACAHPGDSCFTR | |
| SCHEMBL30007189 | 0.93 | CYP2C9 (0.33) | ACACBACACACYP2C9MAPK14ROCK2 | |
| SCHEMBL25234972 | 0.93 | CYP2C9 (0.33) | ACACBACACACYP2C9MAPK14ROCK2 | |
| SCHEMBL25687474 | 0.88 | SCN9A (0.38) | SCN9ACFTRADCY8ADCY1 | |
| SCHEMBL23958713 | 0.88 | SCN9A (0.38) | SCN9ACFTRADCY8ADCY1 | |
| SCHEMBL30007116 | 0.88 | SCN9A (0.38) | SCN9ACFTRADCY8ADCY1 | |
| SCHEMBL25687476 | 0.88 | SCN9A (0.38) | SCN9ACFTRADCY8ADCY1 | |
| SCHEMBL25687377 | 0.88 | SCN9A (0.38) | SCN9ACFTRADCY8ADCY1 |
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-115461336-A | RSV inhibiting 3-substituted quinoline and cinnoline derivatives | 爱尔兰詹森科学公司 | 2022-12-09 | — | — | CN | disclosed |