Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.54 |
| ▸ | CA2 | P00918 | 7/20 | 0.54 |
| ▸ | CA4 | P22748 | 3/20 | 0.54 |
| ▸ | CA7 | P43166 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28957025 | 1.00 | CA1 (0.54) | CA1CA2CA4CA7CA12 | |
| SCHEMBL29698152 | 0.85 | CA1 (0.51) | CA1CA2CA4CA7GABRA1 | |
| SCHEMBL28957064 | 0.85 | CA1 (0.51) | CA1CA2CA4CA7GABRA1 | |
| SCHEMBL28915891 | 0.84 | CA1 (0.54) | CA1CA2CA4CA7CA12 | |
| SCHEMBL29554782 | 0.84 | CA1 (0.54) | CA1CA2CA4CA7CA12 | |
| SCHEMBL28915860 | 0.80 | TTR (0.55) | CA1CA2CA4CA7CA12 | |
| SCHEMBL6324797 | 0.77 | CA1 (0.56) | CA1CA2CA4CA7CA12 | |
| SCHEMBL6324792 | 0.77 | CA1 (0.56) | CA1CA2CA4CA7CA12 | |
| SCHEMBL29174790 | 0.74 | CA1 (0.51) | CA1CA2CA4CA7CA12 | |
| SCHEMBL29698162 | 0.73 | ALDH1A1 (0.35) | CA1CA2CA4CA7ALDH1A1 |
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 |