Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | KRAS | P01116 | 1/20 | 0.46 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.46 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | PDE6D | O43924 | 1/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8762904 | 0.85 | CCR2 (0.55) | KRAS | |
| SCHEMBL6820278 | 0.83 | PTGS2 (0.53) | GRIK1GRIK2PTGS2 | |
| SCHEMBL28387470 | 0.82 | ESR1 (0.53) | ESR1CFTRL3MBTL1PTGS2ALDH1A1 | |
| SCHEMBL4887683 | 0.82 | L3MBTL1 (0.61) | ESR1L3MBTL1PTGS2ALDH1A1PDE6D | |
| SCHEMBL6822028 | 0.82 | PTGS2 (0.58) | GRIK1GRIK2L3MBTL1PTGS2ALDH1A1 | |
| SCHEMBL8761771 | 0.80 | MAPK8 (0.59) | PTGS2 | |
| SCHEMBL6823869 | 0.80 | NPC1 (0.50) | ESR1NPC1ALDH1A1 | |
| SCHEMBL8763754 | 0.79 | POLB (0.46) | NPC1KRASL3MBTL1ALDH1A1 | |
| SCHEMBL6821149 | 0.78 | GRIK1 (0.75) | GRIK1GRIK2ALDH1A1 | |
| SCHEMBL4415758 | 0.78 | BRD4 (0.48) | ESR1NPC1CFTR |
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-2004048331-A1 | N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS | SUVEN LIFE SCIENCES LIMITED (IN) | 2004-06-10 | — | — | WO | disclosed |