Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ERN1 | O75460 | 13/20 | 0.49 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443271 | 0.88 | ERN1 (0.51) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11773552 | 0.87 | ERN1 (0.49) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28460107 | 0.85 | ERN1 (0.61) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29790313 | 0.85 | ERN1 (0.61) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4136634 | 0.83 | ERN1 (0.46) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL207854 | 0.82 | ERN1 (0.47) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30222051 | 0.82 | ERN1 (0.47) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL187267 | 0.81 | ALOX5 (0.49) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29467329 | 0.81 | ALOX5 (0.49) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30646074 | 0.81 | ERN1 (0.67) | CA2CA1CYP1A2CYP2C9CYP2C19 |
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-113145172-B | High-performance catalyst for preparing glycol by hydration of alkylene oxide, preparation method and application | 中国石油化工股份有限公司 | 2023-08-29 | — | — | CN | disclosed |