Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.57 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20600631 | 0.78 | CA1 (0.55) | NQO2CA1CA2CYP1A2ENPP2 | |
| SCHEMBL29955900 | 0.78 | CA1 (0.55) | NQO2CA1CA2CYP1A2ENPP2 | |
| SCHEMBL29958113 | 0.78 | CA1 (0.50) | NQO2TRPM4CA1CA2CYP1A2 | |
| SCHEMBL29957092 | 0.78 | CA1 (0.50) | NQO2TRPM4CA1CA2CYP1A2 | |
| SCHEMBL29955464 | 0.78 | CYP1A2 (0.55) | NQO2TRPM4CA1CA2CYP1A2 | |
| SCHEMBL23205873 | 0.78 | CYP1A2 (0.55) | NQO2TRPM4CA1CA2CYP1A2 | |
| SCHEMBL17395921 | 0.78 | CA1 (0.50) | NQO2TRPM4CA1CA2CYP1A2 | |
| SCHEMBL28504374 | 0.78 | CA1 (0.50) | NQO2TRPM4CA1CA2CYP1A2 | |
| SCHEMBL29953386 | 0.76 | CA1 (0.48) | NQO2TRPM4CA1CA2CYP1A2 | |
| SCHEMBL275940 | 0.75 | CA1 (0.69) | TRPM4CA1CA2CYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |