Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.67 |
| ▸ | CA1 | P00915 | 6/20 | 0.67 |
| ▸ | CES2 | O00748 | 1/20 | 0.67 |
| ▸ | CES1 | P23141 | 1/20 | 0.67 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | MMP2 | P08253 | 3/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28200751 | 0.81 | MEN1 (0.50) | CA2CA1CES2CES1ALDH1A1 | |
| SCHEMBL974156 | 0.81 | CA1 (0.73) | CA2CA1CES2CES1BCHE | |
| P-Nitrophenylphosphate SCHEMBL28027358 | 0.80 | CA1 (1.00) | CA2CA1CES2CES1BCHE | |
| P-Nitrophenylphosphate SCHEMBL35320 | 0.80 | CA1 (1.00) | CA2CA1CES2CES1BCHE | |
| SCHEMBL223704 | 0.80 | CES1 (1.00) | CA2CA1CES2CES1BCHE | |
| P-Nitrophenylphosphate SCHEMBL11152111 | 0.79 | CA1 (0.96) | CA2CA1CES2CES1BCHE | |
| P-Nitrophenylphosphate SCHEMBL3097581 | 0.79 | CA1 (0.96) | CA2CA1CES2CES1BCHE | |
| SCHEMBL11588705 | 0.79 | CES1 (0.96) | CA2CA1CES2CES1BCHE | |
| Water SCHEMBL9045475 | 0.79 | CES1 (0.96) | CA2CA1CES2CES1BCHE | |
| SCHEMBL11588711 | 0.79 | CES1 (0.96) | CA2CA1CES2CES1BCHE |
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 |