Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TOP2A | P11388 | 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 | |
|---|---|---|---|---|
| SCHEMBL5283254 | 0.81 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A | |
| SCHEMBL5276547 | 0.81 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A | |
| SCHEMBL5279596 | 0.79 | TOP2A (0.33) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A | |
| SCHEMBL5276969 | 0.79 | ALDH1A1 (0.31) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL5277387 | 0.79 | CYP1A2 (0.31) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL5279358 | 0.77 | — | — | |
| SCHEMBL5279587 | 0.77 | PKM (0.31) | — | |
| SCHEMBL5274943 | 0.76 | CYP1A2 (0.34) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A | |
| SCHEMBL5279861 | 0.75 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL5282837 | 0.75 | — | — |
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 |