Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 7/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29954377 | 0.86 | ENPP2 (0.49) | ENPP2CA1CA2KDM4EALDH1A1 | |
| SCHEMBL2644418 | 0.79 | CA1 (0.44) | ENPP2CA1CA2KDM4EALDH1A1 | |
| SCHEMBL29952499 | 0.79 | CA1 (0.44) | ENPP2CA1CA2KDM4EALDH1A1 | |
| SCHEMBL29953669 | 0.79 | CA1 (0.44) | ENPP2CA1CA2KDM4EALDH1A1 | |
| SCHEMBL19097576 | 0.77 | KDM4E (0.57) | ENPP2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6100263 | 0.77 | MCL1 (0.53) | KDM4EALDH1A1HPGDHSD17B10NQO1 | |
| SCHEMBL29955720 | 0.77 | CYP1A2 (0.57) | ENPP2CA1CA2KDM4EALDH1A1 | |
| SCHEMBL8393507 | 0.75 | NQO1 (0.67) | CA1CA2KDM4EALDH1A1HPGD | |
| SCHEMBL29919905 | 0.75 | NQO1 (0.67) | CA1CA2KDM4EALDH1A1HPGD | |
| SCHEMBL31139487 | 0.74 | CA2 (0.58) | ENPP2CA1CA2KDM4EALDH1A1 |
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 |