Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA4 | P22748 | 3/20 | 0.33 |
| ▸ | CA6 | P23280 | 3/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 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 | |
|---|---|---|---|---|
| SCHEMBL28217889 | 0.83 | CCNB2 (0.43) | CFTRCA1CA2CA4CA6 | |
| SCHEMBL28218315 | 0.78 | GSK3B (0.44) | CA1CA2CA4CA6MAPK10 | |
| SCHEMBL28218318 | 0.75 | CA1 (0.49) | CA1CA2CA4CA6BCHE | |
| SCHEMBL28217857 | 0.73 | CDK1 (0.52) | CA1CA2CA4CA6 | |
| SCHEMBL28217847 | 0.73 | CA1 (0.47) | CA1CA2CA4CA6BCHE | |
| SCHEMBL29131274 | 0.60 | NOS3 (0.39) | BCHEACHE | |
| Hydrochloric Acid SCHEMBL6481072 | 0.59 | CA1 (0.59) | CA1CA2CA4CA6MAPK10 | |
| SCHEMBL6070790 | 0.58 | MAPK10 (0.43) | CFTRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL6008331 | 0.58 | GPR84 (0.48) | CA1CA2ACHEGABRPGABRD | |
| SCHEMBL30715250 | 0.58 | GPR84 (0.48) | CA1CA2ACHEGABRPGABRD |
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-108101912-A | Dihydrobenzene nitrogen Zhuo diindyl derivative and preparation method thereof | 浙江大学 | 2018-06-01 | — | — | CN | disclosed |