Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 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 | |
|---|---|---|---|---|
| SCHEMBL16900582 | 0.83 | ALDH1A1 (0.49) | ALDH1A1GAAMEN1KMT2AHPGD | |
| SCHEMBL22476657 | 0.77 | ALDH1A1 (0.42) | ALDH1A1GAAMEN1KMT2AHPGD | |
| SCHEMBL14283936 | 0.73 | ALDH1A1 (0.44) | ALDH1A1GAAMEN1KMT2AHPGD | |
| SCHEMBL21973574 | 0.73 | ALDH1A1 (0.44) | ALDH1A1GAAMEN1KMT2AHPGD | |
| SCHEMBL10105246 | 0.72 | ALDH1A1 (0.40) | ALDH1A1GAAMEN1KMT2AHPGD | |
| Hydrochloric Acid SCHEMBL9737645 | 0.72 | ALDH1A1 (0.43) | ALDH1A1GAAMEN1KMT2AHPGD | |
| SCHEMBL111786 | 0.71 | MAOA (0.47) | MAPTKDM4EHSD17B10DRD2DRD1 | |
| SCHEMBL29803269 | 0.71 | MAOA (0.47) | MAPTKDM4EHSD17B10DRD2DRD1 | |
| SCHEMBL15628886 | 0.70 | ALDH1A1 (0.44) | ALDH1A1GAAMEN1KMT2AHPGD | |
| SCHEMBL15628980 | 0.70 | ALDH1A1 (0.50) | ALDH1A1GAAMEN1KMT2AHPGD |
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-2010494-B1 | SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES | OREAL (FR) | 2012-02-01 | — | — | EP | disclosed |