Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL19986722 | 0.90 | ITGB1 (0.45) | ITGB1ITGA4MAPTCYP2D6ELANE | |
| SCHEMBL19986448 | 0.70 | MAPT (0.40) | ITGB1ITGA4MAPTP2RX7 | |
| SCHEMBL19986703 | 0.68 | MAPT (0.38) | ITGB1ITGA4MAPTP2RX7 | |
| SCHEMBL21525114 | 0.67 | HCAR3 (0.37) | ITGB1ITGA4MAPTCYP2D6ELANE | |
| SCHEMBL8923850 | 0.67 | MAPT (0.50) | ITGB1ITGA4MAPTP2RX7PDE4D | |
| SCHEMBL22166114 | 0.66 | MAPT (0.32) | ITGB1ITGA4MAPT | |
| SCHEMBL19594604 | 0.65 | ELANE (0.39) | CYP2D6ELANEHCAR3CRHR1TLR8 | |
| SCHEMBL1937502 | 0.65 | TLR8 (0.41) | ITGB1ITGA4CYP2D6ELANEHCAR3 | |
| SCHEMBL28588323 | 0.62 | MAPT (0.42) | ITGB1ITGA4MAPTCYP2D6P2RX7 | |
| SCHEMBL18977628 | 0.61 | LATS1 (0.42) | MAPTCYP2D6ELANEHCAR3CRHR1 |
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 |