Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11211191 | 0.87 | ALDH1A1 (0.52) | KCNH2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11213917 | 0.85 | AOC3 (0.51) | AOC3CHRM1CHRM3 | |
| SCHEMBL8055910 | 0.85 | MEN1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19AOC3 | |
| SCHEMBL11209758 | 0.84 | BCHE (0.48) | KCNH2CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL11212081 | 0.84 | CYP2C19 (0.44) | ALDH1A1CYP2C19AOC3CNR1CNR2 | |
| SCHEMBL11209028 | 0.82 | KCNH2 (0.41) | KCNH2ALDH1A1AOC3CHRM1MEN1 | |
| SCHEMBL11208914 | 0.81 | ALDH1A1 (0.41) | ALDH1A1AOC3MEN1KMT2A | |
| SCHEMBL11399637 | 0.81 | AOC3 (0.57) | KCNH2AOC3ALOX5LTA4HCHRM5 | |
| SCHEMBL11208908 | 0.81 | APLNR (0.40) | ALDH1A1AOC3MEN1KMT2ATSHR | |
| SCHEMBL2323987 | 0.78 | USP2 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4313872-A | MONDAZO AND DISAZO DYES | CASSELLA AKTIENGESELLSCHAFT (DE) | 1982-02-02 | — | — | US | disclosed |