Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 9/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28917652 | 0.99 | LTA4H (0.55) | LTA4HHRH3BACE1KCNH2MCHR1 | |
| SCHEMBL28917705 | 0.90 | LTA4H (0.59) | LTA4HHRH3KCNH2MCHR1 | |
| SCHEMBL28917888 | 0.89 | LTA4H (0.60) | LTA4HHRH3KCNH2MCHR1 | |
| SCHEMBL28917693 | 0.88 | LTA4H (0.61) | LTA4HHRH3BACE1MCHR1 | |
| SCHEMBL28917648 | 0.88 | KDM4E (0.54) | LTA4HHRH3BACE1MCHR1 | |
| SCHEMBL28917650 | 0.87 | KDM4E (0.52) | LTA4HMCHR1 | |
| SCHEMBL28917640 | 0.87 | LTA4H (0.62) | LTA4HHRH3MCHR1 | |
| SCHEMBL5350619 | 0.83 | ESR1 (0.58) | HRH3KCNH2 | |
| SCHEMBL3193186 | 0.79 | MAPK14 (0.61) | — | |
| SCHEMBL9732885 | 0.77 | NPC1 (0.51) | — |
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-110229091-B | 1, 5-disubstituted indole derivatives with leukotriene A4 hydrolase inhibition effect and application thereof | 天津科技大学 | 2022-11-22 | — | — | CN | disclosed |