Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | KMO | O15229 | 5/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL651699 | 0.78 | CYP2E1 (0.50) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL14268982 | 0.77 | CYP2E1 (0.43) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL27772935 | 0.77 | TLR8 (0.50) | CYP2C19MAPTHSD11B1KDM5AKDM5B | |
| SCHEMBL4540057 | 0.76 | CYP2E1 (0.49) | KMOCYP2E1CYP2A6CYP2C9CYP2B6 | |
| Hydrochloric Acid SCHEMBL29500483 | 0.75 | CYP19A1 (0.48) | CYP3A4CYP2C9CYP2C19NPC1ALDH1A1 | |
| SCHEMBL13749467 | 0.75 | TLR8 (0.57) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL5760700 | 0.75 | PHF8 (0.51) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL19626596 | 0.74 | TLR8 (0.48) | NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL17626091 | 0.74 | SIGMAR1 (0.39) | SIGMAR1KMONPC1ALDH1A1RAB9A | |
| SCHEMBL17874829 | 0.73 | TLR8 (0.52) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 |
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-109776537-A | Purinedione as WNT pathway modulators | 新加坡科技研究局 | 2019-05-21 | — | — | CN | disclosed |