Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 9/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | RXRA | P19793 | 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 | |
|---|---|---|---|---|
| SCHEMBL21296916 | 0.86 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL31544769 | 0.86 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL24642598 | 0.84 | HSD17B1 (0.60) | HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL30469326 | 0.80 | CA12 (0.73) | HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL29441691 | 0.80 | CA12 (0.73) | HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL2462229 | 0.80 | CA12 (0.73) | HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL1029061 | 0.80 | TSHR (0.73) | HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL14128677 | 0.78 | MAOA (0.54) | CYP3A4CYP1A2ALDH1A1TDP1RXRA | |
| Hydrochloric Acid SCHEMBL2462962 | 0.78 | CA12 (0.70) | HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL20557903 | 0.78 | MAOA (0.60) | CYP3A4CA12ALDH1A1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3326715-B1 | OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE | CE PHARM CO LTD (CN) | 2021-09-15 | — | — | EP | disclosed |