Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.49 |
| ▸ | CCNB2 | O95067 | 5/20 | 0.46 |
| ▸ | CDK1 | P06493 | 5/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 5/20 | 0.46 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.46 |
| ▸ | CDK2 | P24941 | 3/20 | 0.46 |
| ▸ | CDK4 | P11802 | 2/20 | 0.46 |
| ▸ | CCND1 | P24385 | 2/20 | 0.46 |
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12105373 | 0.90 | AR (0.52) | ARCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL28628218 | 0.84 | CDK5 (0.46) | ARCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL12105403 | 0.84 | AR (0.46) | ARCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL7499024 | 0.81 | ERCC5 (0.50) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL28646096 | 0.81 | ALDH1A1 (0.49) | CCNB2CDK1CCNB1CCNB3CDK4 | |
| SCHEMBL29640031 | 0.81 | CDK5 (0.55) | CCNB2CDK1CCNB1CCNB3CCNE2 | |
| SCHEMBL28631145 | 0.81 | AHR (0.49) | CCNB2CDK1CCNB1CCNB3CCNE2 | |
| SCHEMBL1984213 | 0.78 | KMT2A (0.56) | CCNB2CDK1CCNB1CCNB3CCNE2 | |
| SCHEMBL8819252 | 0.78 | GABRP (0.45) | ARCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL12105396 | 0.78 | AR (0.52) | ARCCNB2CDK1CCNB1CCNB3 |
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-110283179-B | Method for directly constructing indole-fused ring compound | 中国科学技术大学 | 2021-10-01 | — | — | CN | disclosed |