Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.49 |
| ▸ | CA2 | P00918 | 9/20 | 0.49 |
| ▸ | CA4 | P22748 | 9/20 | 0.49 |
| ▸ | CA6 | P23280 | 9/20 | 0.49 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28217847 | 0.88 | CA1 (0.47) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL28218315 | 0.81 | GSK3B (0.44) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL28217857 | 0.81 | CDK1 (0.52) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL28217889 | 0.77 | CCNB2 (0.43) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL2299152 | 0.76 | CA1 (0.71) | CA1CA2CA4CA6PARP1 | |
| SCHEMBL28218316 | 0.75 | CFTR (0.34) | CA1CA2CA4CA6PARP1 | |
| SCHEMBL2296063 | 0.66 | CA1 (0.83) | CA1CA2CA4CA6PARP1 | |
| SCHEMBL8946292 | 0.65 | CA1 (0.71) | CA1CA2CA4CA6PARP1 | |
| SCHEMBL12382617 | 0.62 | CA1 (0.58) | CA1CA2CA4CA6PARP1 | |
| SCHEMBL29562978 | 0.62 | AHR (0.64) | CA1CA2CA4CA6CCNB2 |
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 |