Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.86 |
| ▸ | CA2 | P00918 | 3/20 | 0.86 |
| ▸ | ENPP2 | Q13822 | 5/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21352794 | 1.00 | CA1 (0.86) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL1153498 | 1.00 | CA1 (0.86) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL23150 | 0.93 | CA1 (1.00) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL29612616 | 0.93 | CA1 (1.00) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL13667343 | 0.93 | CA2 (0.73) | CA1CA2ENPP2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL27818196 | 0.91 | CA1 (0.95) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL12025738 | 0.87 | CA1 (0.80) | CA1CA2ENPP2MGLL | |
| SCHEMBL205203 | 0.87 | CA2 (0.80) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL31354846 | 0.87 | CA2 (0.80) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL8781477 | 0.87 | CA1 (0.66) | CA1CA2ENPP2ALDH1A1HIF1A |
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 |