Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | PLA2G10 | O15496 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CCR2 | P41597 | 2/20 | 0.44 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.43 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL30194196 | 0.85 | ALDH1A1 (1.00) | ALDH1A1TSHRMCL1DAOPLA2G10 | |
| SCHEMBL5208338 | 0.85 | ALDH1A1 (1.00) | ALDH1A1TSHRMCL1DAOPLA2G10 | |
| SCHEMBL9260948 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRMCL1DAOPLA2G10 | |
| Dimethylamine SCHEMBL4930574 | 0.82 | ALDH1A1 (0.87) | ALDH1A1TSHRMCL1DAOPLA2G10 | |
| SCHEMBL9149430 | 0.81 | ALDH1A1 (0.79) | ALDH1A1TSHRMCL1DAOPLA2G10 | |
| SCHEMBL3957422 | 0.81 | ALDH1A1 (0.79) | ALDH1A1TSHRMCL1DAOPLA2G10 | |
| SCHEMBL5421995 | 0.81 | ALDH1A1 (0.79) | ALDH1A1TSHRMCL1DAOPLA2G10 | |
| SCHEMBL3963208 | 0.80 | ALDH1A1 (0.72) | ALDH1A1TSHRMCL1DAOPLA2G10 | |
| SCHEMBL3578110 | 0.80 | ALDH1A1 (0.72) | ALDH1A1TSHRMCL1DAOPLA2G10 | |
| SCHEMBL5434782 | 0.79 | ALDH1A1 (0.77) | ALDH1A1TSHRMCL1DAOPLA2G10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1003504-B1 | INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2003-07-02 | — | — | EP | disclosed |