Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.51 |
| ▸ | CA2 | P00918 | 7/20 | 0.51 |
| ▸ | PARK7 | Q99497 | 4/20 | 0.43 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28957064 | 1.00 | CA1 (0.51) | CA1CA2PARK7CA4CA7 | |
| SCHEMBL28915891 | 0.85 | CA1 (0.54) | CA1CA2CA4CA7CHRM5 | |
| SCHEMBL28957025 | 0.85 | CA1 (0.54) | CA1CA2CA4CA7CASP3 | |
| SCHEMBL29698136 | 0.85 | CA1 (0.54) | CA1CA2CA4CA7CASP3 | |
| SCHEMBL29554782 | 0.85 | CA1 (0.54) | CA1CA2CA4CA7CHRM5 | |
| SCHEMBL28915860 | 0.81 | TTR (0.55) | CA1CA2CA4CA7TTR | |
| SCHEMBL29174755 | 0.73 | CA1 (0.52) | CA1CA2PARK7CHRM5CASP3 | |
| SCHEMBL30704879 | 0.72 | CASP3 (0.62) | CA1CA2PARK7CHRM5CASP3 | |
| SCHEMBL16237987 | 0.72 | CASP3 (0.62) | CA1CA2PARK7CHRM5CASP3 | |
| SCHEMBL28915888 | 0.69 | ALDH1A1 (0.53) | TTR |
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-114605212-A | Method for preparing chiral 3,2' -pyrrolidine spiro indole skeleton compound by chiral NHC catalysis | 成都普康唯新生物科技有限公司 | 2022-06-10 | — | — | CN | disclosed |