Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CPA1 | P15085 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1008129 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL11628885 | 0.93 | ALDH1A1 (0.41) | ALDH1A1CPA1HIF1ATSHRHPGD | |
| SCHEMBL9851962 | 0.79 | CHRM1 (0.48) | ALDH1A1CPA1TSHRCA2MAPK1 | |
| SCHEMBL11507199 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL11694182 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| Potassium Ion SCHEMBL11694177 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| Ammonia Solution, Strong SCHEMBL11867769 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL11627708 | 0.76 | — | — | |
| SCHEMBL11508090 | 0.76 | — | — | |
| SCHEMBL11507296 | 0.76 | CES2 (0.40) | ALDH1A1TSHRHDAC1HDAC2 |
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-108658883-B | Method for synthesizing isoxazole derivative by catalyzing aryl aldehyde and nitromethane with copper salt | 沅江华龙催化科技有限公司 | 2020-06-16 | — | — | CN | disclosed |