Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986724 | 0.90 | ITGB1 (0.42) | ITGB1ITGA4MAPTCYP2D6HCAR3 | |
| SCHEMBL19986703 | 0.76 | MAPT (0.38) | ITGB1ITGA4MAPTMAPK1KMT2A | |
| SCHEMBL22166114 | 0.71 | MAPT (0.32) | ITGB1ITGA4MAPTMAPK1L3MBTL1 | |
| SCHEMBL28588323 | 0.69 | MAPT (0.42) | ITGB1ITGA4MAPTCYP2D6SMN1; SMN2 | |
| SCHEMBL1937502 | 0.69 | TLR8 (0.41) | ITGB1ITGA4CYP2D6HCAR3TLR8 | |
| SCHEMBL21525114 | 0.68 | HCAR3 (0.37) | ITGB1ITGA4MAPTCYP2D6HCAR3 | |
| SCHEMBL30448300 | 0.65 | ALDH1A1 (0.48) | MAPTCYP2D6HCAR3TLR8TLR7 | |
| SCHEMBL10079180 | 0.65 | ALDH1A1 (0.65) | MAPTCYP2D6HCAR3TLR8TLR7 | |
| SCHEMBL22355921 | 0.64 | CFTR (0.49) | CYP2D6TLR8TLR7KMT2AKDM4E | |
| SCHEMBL7970914 | 0.64 | MAPT (0.41) | MAPTMAPK1KMT2AKDM4EMEN1 |
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-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |