Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5276483 | 0.88 | SLC9A1 (0.43) | CYP1A2ALDH1A1SLC9A1CYP2C9CYP2C19 | |
| SCHEMBL5281115 | 0.84 | SLC9A1 (0.46) | CYP1A2ALDH1A1SLC9A1GRM2TOP2A | |
| SCHEMBL5274100 | 0.82 | — | — | |
| SCHEMBL5275766 | 0.80 | SLC9A1 (0.41) | CYP1A2ALDH1A1SLC9A1CYP2C9CYP2C19 | |
| SCHEMBL5275538 | 0.77 | SLC9A1 (0.42) | CYP1A2ALDH1A1SLC9A1CYP2C9CYP2C19 | |
| SCHEMBL5285294 | 0.77 | SLC9A1 (0.39) | CYP1A2ALDH1A1SLC9A1CYP2C9CYP2C19 | |
| SCHEMBL5274583 | 0.77 | SLC9A1 (0.39) | CYP1A2ALDH1A1SLC9A1CYP2C9CYP2C19 | |
| SCHEMBL5277255 | 0.77 | GRM2 (0.42) | CYP1A2ALDH1A1SLC9A1CYP2C9CYP2C19 | |
| SCHEMBL5275068 | 0.75 | SLC9A1 (0.38) | CYP1A2ALDH1A1SLC9A1CYP2C9CYP2C19 | |
| SCHEMBL5275003 | 0.74 | CYP1A2 (0.43) | CYP1A2ALDH1A1SLC9A1CYP2C9CYP2C19 |
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-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |