Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2644507 | 0.83 | CA1 (0.44) | CA1CA2CYP11B1CYP11B2MGLL | |
| SCHEMBL29957575 | 0.83 | CA1 (0.44) | CA1CA2CYP11B1CYP11B2MGLL | |
| SCHEMBL29225972 | 0.78 | ENPP2 (0.46) | CA1CA2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL29957487 | 0.77 | CA1 (0.42) | CA1CA2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL29954594 | 0.75 | CA1 (0.46) | CA1CA2CYP11B1CYP11B2MGLL | |
| SCHEMBL2644418 | 0.73 | CA1 (0.44) | CA1CA2MGLLKDM4EALDH1A1 | |
| SCHEMBL29953669 | 0.73 | CA1 (0.44) | CA1CA2MGLLKDM4EALDH1A1 | |
| SCHEMBL29951136 | 0.72 | ACP1 (0.41) | CA1CA2CYP11B1CYP11B2KIF11 | |
| SCHEMBL29954753 | 0.72 | MAPT (0.37) | KDM4EALDH1A1HSD17B10C1REPHX2 | |
| SCHEMBL9389089 | 0.72 | LIPE (0.51) | CA1CA2ALDH1A1ENPP2 |
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 |