Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | KDM1A | O60341 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.46 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.45 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7087889 | 0.86 | CHRNB4 (0.47) | NPC1KDM1ACHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3335239 | 0.85 | AHR (0.50) | NPC1CA1CA2KDM1ANISCH | |
| SCHEMBL5850255 | 0.82 | NPC1 (0.79) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL15296270 | 0.79 | NPC1 (0.69) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL30587350 | 0.77 | NPC1 (1.00) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL446619 | 0.77 | NPC1 (1.00) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL22220936 | 0.76 | PTGS2 (0.56) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL4486564 | 0.76 | AHR (0.70) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL856313 | 0.76 | AHR (0.70) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL3462787 | 0.76 | AHR (0.70) | NPC1CA12CA1CA2CA9 |
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-2003074047-A1 | INDOLE DERIVATIVES AS MODULATORS OF POTASSIUM CHANNELS | 4SC AG (DE) | 2003-09-12 | — | — | WO | disclosed |