Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956556 | 0.81 | CA1 (0.50) | CA1CA2ENPP2ALDH1A1KDM4E | |
| SCHEMBL29954404 | 0.76 | NQO2 (0.57) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL26973078 | 0.76 | MEN1 (0.59) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL28504374 | 0.74 | CA1 (0.50) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL29957092 | 0.74 | CA1 (0.50) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL23205873 | 0.74 | CYP1A2 (0.55) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL29958113 | 0.74 | CA1 (0.50) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL29955464 | 0.74 | CYP1A2 (0.55) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL17395921 | 0.74 | CA1 (0.50) | CA1CA2ENPP2CA4CA6 | |
| SCHEMBL8782470 | 0.74 | NQO2 (0.59) | MEN1KMT2ATRPM4ALDH1A1HSD17B10 |
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 |