Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL5451205 | 0.81 | CYP2C19 (0.46) | CYP2C19ALDH1A1TDP1CA2GAA | |
| SCHEMBL269050 | 0.74 | ALDH1A1 (0.48) | CYP2C19ALDH1A1TDP1CA2SMN1; SMN2 | |
| Chloromethane SCHEMBL27866026 | 0.73 | CYP2C19 (0.68) | CYP2C19ALDH1A1TDP1CA2GAA | |
| SCHEMBL28957295 | 0.73 | — | — | |
| SCHEMBL1492542 | 0.72 | ALDH1A1 (0.46) | CYP2C19ALDH1A1TDP1CA2CYP1A2 | |
| SCHEMBL13554068 | 0.70 | ALDH1A1 (0.43) | CYP2C19ALDH1A1TDP1CA2SMN1; SMN2 | |
| Methyl Isobutyl Ketone SCHEMBL28228269 | 0.70 | ALDH1A1 (0.74) | CYP2C19ALDH1A1TDP1CA2GAA | |
| SCHEMBL27975114 | 0.70 | ALDH1A1 (0.43) | CYP2C19ALDH1A1TDP1CA2SMN1; SMN2 | |
| SCHEMBL3648823 | 0.69 | ALDH1A1 (0.42) | CYP2C19ALDH1A1TDP1CA2TSHR | |
| SCHEMBL10943994 | 0.69 | ALDH1A1 (0.48) | CYP2C19ALDH1A1TDP1CA2GAA |
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-2007121851-A1 | LIGHTENING AND/OR COLOURING AGENTS COMPRISING HALOGENATED KETONES | HENKEL AG & CO. KGAA (DE) | 2007-11-01 | — | — | WO | claimed |