Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.30 |
| ▸ | PGK1 | P00558 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19011997 | 0.80 | CYP2A6 (0.38) | ALDH1A1CYP3A4HSD17B10TDP1 | |
| SCHEMBL22916709 | 0.75 | TRPA1 (0.42) | TLR8ALDH1A1MAPTHPGDALOX12 | |
| SCHEMBL19162487 | 0.75 | SRC (0.41) | TLR8KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL29089504 | 0.73 | PGK1 (0.42) | TLR8KDM4ECYP3A4MAPTHSD17B10 | |
| SCHEMBL27265854 | 0.72 | TLR8 (0.37) | TLR8ALDH1A1MAPTHPGD | |
| SCHEMBL19011996 | 0.72 | GRM5 (0.42) | ALDH1A1MAPTTDP1KCNH2 | |
| SCHEMBL6116221 | 0.71 | TLR8 (0.34) | TLR8 | |
| SCHEMBL6304449 | 0.69 | TLR8 (0.40) | TLR8 | |
| SCHEMBL20767789 | 0.69 | TLR8 (0.35) | TLR8KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL28377872 | 0.69 | KCNH2 (0.56) | ALDH1A1MAPTKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017170765-A1 | NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2017-10-05 | — | — | WO | disclosed |