Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.68 |
| ▸ | CA2 | P00918 | 8/20 | 0.68 |
| ▸ | CA9 | Q16790 | 6/20 | 0.68 |
| ▸ | CA12 | O43570 | 5/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL866411 | 0.96 | CA1 (0.67) | CA1CA2CA9CA12HTT | |
| Sulfuric Acid SCHEMBL3198737 | 0.94 | CA1 (0.65) | CA1CA2CA9CA12HTT | |
| SCHEMBL3519559 | 0.81 | CA2 (1.00) | CA1CA2CA9CA12HTT | |
| SCHEMBL866410 | 0.80 | CA1 (0.71) | CA1CA2CA9CA12HTT | |
| Hydrazine SCHEMBL28200152 | 0.80 | GPR17 (0.53) | CA2HTTCA5AKMT2AGAA | |
| SCHEMBL554006 | 0.77 | CA1 (0.62) | CA1CA2CA9CA12HTT | |
| SCHEMBL28361918 | 0.77 | CA1 (0.62) | CA1CA2CA9CA12HTT | |
| Sulfuric Acid SCHEMBL28654341 | 0.77 | CA1 (0.62) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL22832592 | 0.77 | HTR2A (0.66) | CA1CA2CA9CA12HTT | |
| SCHEMBL11704991 | 0.77 | CA1 (0.67) | CA1CA2CA9CA12HTT |
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-107663161-A | A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt | 上海惠和化德生物科技有限公司 | 2018-02-06 | — | — | CN | disclosed |