Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 8/20 | 0.36 |
| ▸ | PPARA | Q07869 | 8/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22969195 | 0.99 | ENPP3 (0.37) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL16558469 | 0.90 | CRHBP (0.33) | ENPP3ENPP1CYP2C19TYMSCYP1A2 | |
| SCHEMBL22969349 | 0.90 | MCL1 (0.34) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL22969343 | 0.89 | PDCD1 (0.36) | ENPP1PPARGPPARACYP2C9CYP2C19 | |
| SCHEMBL22969190 | 0.88 | MCL1 (0.33) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL22969179 | 0.87 | PDCD1 (0.35) | ENPP1PPARGPPARACYP2C9CYP2C19 | |
| SCHEMBL22969357 | 0.87 | ALDH1A1 (0.37) | CA12CA1CA2CA9TYMS | |
| SCHEMBL22969342 | 0.87 | ACHE (0.33) | TYMSMCL1 | |
| SCHEMBL22969353 | 0.87 | ACHE (0.35) | ENPP1CYP2C19TYMS | |
| SCHEMBL22969196 | 0.86 | ANPEP (0.36) | CA12CA1CA2CA9TYMS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021025163-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME | 出光興産株式会社 | 2021-02-11 | — | — | WO | disclosed |
| WO-2021025162-A1 | NOVEL COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME, AND ELECTRONIC APPLIANCE | 出光興産株式会社 | 2021-02-11 | — | — | WO | disclosed |