Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.71 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.58 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.58 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.58 |
| ▸ | LIPE | Q05469 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23807 | 0.84 | ENPP2 (1.00) | ENPP2ORAI1ORAI2ORAI3LIPE | |
| SCHEMBL26450 | 0.84 | ALDH1A1 (0.52) | ENPP2ORAI1ORAI2ORAI3LIPE | |
| SCHEMBL30038787 | 0.84 | ALDH1A1 (0.52) | ENPP2ORAI1ORAI2ORAI3LIPE | |
| SCHEMBL29466484 | 0.84 | ENPP2 (1.00) | ENPP2ORAI1ORAI2ORAI3LIPE | |
| Ethane SCHEMBL3949093 | 0.82 | ENPP2 (0.95) | ENPP2ORAI1ORAI2ORAI3LIPE | |
| SCHEMBL3419277 | 0.79 | ENPP2 (0.43) | ENPP2ORAI1ORAI2ORAI3CA2 | |
| SCHEMBL1507181 | 0.79 | TDP1 (0.46) | ENPP2ORAI1ORAI2ORAI3LIPE | |
| SCHEMBL3426499 | 0.79 | ALDH1A1 (0.46) | ENPP2ORAI1ORAI2ORAI3LIPE | |
| SCHEMBL29771456 | 0.76 | CA2 (0.57) | ENPP2ORAI1ORAI2ORAI3CA2 | |
| SCHEMBL142899 | 0.76 | CA2 (0.57) | ENPP2ORAI1ORAI2ORAI3CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106117256-A | β phenanthro-azepine fluorine boron two pyrylium dyes and its preparation method and application | 安徽师范大学 | 2016-11-16 | — | — | CN | disclosed |