Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.44 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 5/20 | 0.44 |
| ▸ | CDC25A | P30304 | 1/20 | 0.43 |
| ▸ | CDC25C | P30307 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955895 | 0.84 | CA9 (0.48) | PTPN1MAOACA2CA9CA12 | |
| SCHEMBL9910631 | 0.84 | CA9 (0.48) | PTPN1MAOACA2CA9CA12 | |
| SCHEMBL29957740 | 0.84 | MEN1 (0.56) | NQO1PTPN1CDC25ACDC25CCA2 | |
| SCHEMBL11568363 | 0.84 | NQO1 (0.61) | NQO1PTPN1MAOBADCY1CDC25A | |
| SCHEMBL29953437 | 0.84 | NQO1 (0.61) | NQO1PTPN1MAOBADCY1CDC25A | |
| SCHEMBL17845026 | 0.84 | MEN1 (0.56) | NQO1PTPN1CDC25ACDC25CCA2 | |
| SCHEMBL3196866 | 0.84 | CA2 (0.57) | NQO1MAOBALDH1A1CA2CA9 | |
| SCHEMBL10336569 | 0.80 | NQO1 (0.56) | NQO1MAOBADORA3ADCY1AHR | |
| SCHEMBL5273182 | 0.79 | CA9 (0.53) | NQO1MAOBADORA3MAOAALDH1A1 | |
| SCHEMBL10992566 | 0.77 | AHR (0.47) | NQO1PTPN1ADORA3ADCY1AHR |
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 |