Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL1146978 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPTPTGS1SLC1A3SLC1A2 | |
| SCHEMBL1146980 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPTPTGS1SLC1A3SLC1A2 | |
| SCHEMBL296273 | 0.72 | — | — | |
| SCHEMBL296274 | 0.72 | — | — | |
| SCHEMBL5299472 | 0.72 | — | — | |
| SCHEMBL11685771 | 0.72 | — | — | |
| SCHEMBL13227969 | 0.72 | — | — | |
| SCHEMBL11822235 | 0.71 | — | — | |
| SCHEMBL166753 | 0.71 | — | — | |
| SCHEMBL13244968 | 0.71 | — | — |
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-104703991-A | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES INC | 2015-06-10 | — | — | CN | disclosed |