Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.34 |
| ▸ | ABL1 | P00519 | 2/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.32 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.32 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 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 | |
|---|---|---|---|---|
| SCHEMBL2644418 | 1.00 | CA1 (0.44) | CA1CA2MGLLKDM4EALDH1A1 | |
| SCHEMBL2644507 | 0.88 | CA1 (0.44) | CA1CA2MGLLKDM4EALDH1A1 | |
| SCHEMBL29957575 | 0.88 | CA1 (0.44) | CA1CA2MGLLKDM4EALDH1A1 | |
| SCHEMBL29954445 | 0.79 | ENPP2 (0.49) | CA1CA2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL29952499 | 0.78 | CA1 (0.44) | CA1CA2MGLLKDM4EALDH1A1 | |
| SCHEMBL29952524 | 0.76 | MGLL (0.49) | CA1CA2MGLLKDM4EALDH1A1 | |
| SCHEMBL2643936 | 0.76 | ALPL (0.41) | KDM4EALDH1A1HSD17B10SLC40A1 | |
| SCHEMBL14202870 | 0.76 | CYP2A6 (0.52) | KDM4EALDH1A1HSD17B10KCNK3KCNK9 | |
| SCHEMBL3120591 | 0.74 | KDM4E (0.53) | KDM4EALDH1A1HSD17B10SLC40A1 | |
| SCHEMBL2662889 | 0.73 | KDM4E (0.40) | KDM4EALDH1A1HSD17B10SLC40A1 |
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 |