Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.46 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.44 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.44 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.43 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL203282 | 0.84 | ENPP2 (0.60) | ENPP2ORAI1ORAI2ORAI3ALDH1A1 | |
| SCHEMBL29956642 | 0.82 | KCNK3 (0.35) | ENPP2ORAI1ORAI2ORAI3KCNK3 | |
| SCHEMBL29950745 | 0.80 | ALDH1A1 (0.35) | KCNK3KCNK9ALDH1A1TP53KDM4E | |
| SCHEMBL30995614 | 0.80 | EPHX2 (0.36) | KCNK3KCNK9KDM4EGAA | |
| SCHEMBL18190674 | 0.79 | GRIA1 (0.40) | KCNK3KCNK9KDM4EGAAGRIN2B | |
| SCHEMBL29950951 | 0.79 | ENPP2 (0.46) | ENPP2ORAI1ORAI2ORAI3ALDH1A1 | |
| SCHEMBL29951001 | 0.79 | GRIA1 (0.40) | KCNK3KCNK9KDM4EGAAGRIN2B | |
| SCHEMBL29951401 | 0.77 | ENPP2 (0.53) | ENPP2ORAI1ORAI2ORAI3KCNK3 | |
| SCHEMBL29956737 | 0.77 | ENPP2 (0.48) | ENPP2ORAI1ORAI2ORAI3KCNK3 | |
| Magnesium Chloride Anhydrous SCHEMBL20694977 | 0.77 | ENPP2 (0.52) | ENPP2ORAI1ORAI2ORAI3ALDH1A1 |
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 2 patents. 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 |
| US-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |