Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL21065707 | 0.72 | TSHR (0.40) | AURKAPDPK1RPS6KB1ALDH1A1 | |
| SCHEMBL4649295 | 0.69 | PKM (0.42) | ALDH1A1 | |
| SCHEMBL10348301 | 0.68 | SIGMAR1 (0.37) | SIGMAR1ALDH1A1 | |
| SCHEMBL2495978 | 0.67 | ALDH1A1 (0.45) | ALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL5948196 | 0.67 | HRH1 (0.43) | SIGMAR1ALDH1A1 | |
| SCHEMBL13287189 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL25333625 | 0.66 | ALDH1A1 (0.43) | ALDH1A1NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL27918612 | 0.66 | ALDH1A1 (0.43) | ALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL13075295 | 0.66 | — | — | |
| SCHEMBL18849486 | 0.65 | AURKA (0.35) | SIGMAR1AURKAPDPK1RPS6KB1 |
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-2011014039-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-02-03 | — | — | WO | disclosed |