Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | LCK | P06239 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3388426 | 1.00 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15169263 | 0.83 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7567906 | 0.82 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29954629 | 0.82 | ERN1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28451382 | 0.80 | KDM4E (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL436346 | 0.79 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30253662 | 0.79 | ERN1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1302677 | 0.79 | ERN1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30014296 | 0.79 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6928663 | 0.79 | KEAP1 (0.52) | CA1CA2ALDH1A1HSD17B10CES2 |
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 |