Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11777251 | 0.86 | ALDH1A1 (0.41) | ESR1ALDH1A1CYP3A4LMNAIDO1 | |
| SCHEMBL11088161 | 0.86 | ESR1 (0.46) | ESR1ALDH1A1CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL22044344 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP2C19CYP2C9CYP3A4LMNA | |
| SCHEMBL11088729 | 0.80 | IDO1 (0.53) | ALDH1A1ADRA2BLMNAIDO1TDO2 | |
| SCHEMBL11777166 | 0.79 | IDO1 (0.55) | ALDH1A1CYP2C19CYP2C9CYP3A4PMP22 | |
| SCHEMBL5268174 | 0.77 | ESR1 (0.75) | ESR1CYP2D6CYP2C19CYP2C9SLC22A2 | |
| Dimethylamine SCHEMBL10776405 | 0.76 | ALDH1A1 (0.41) | ALDH1A1CYP2C19CYP2C9GRIN2DGRIN3B | |
| SCHEMBL9297488 | 0.76 | ALDH1A1 (0.41) | ALDH1A1CYP2D6CYP2C19CYP2C9CHRM1 | |
| SCHEMBL11518804 | 0.76 | ESR1 (0.41) | ESR1ALDH1A1CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL3924304 | 0.73 | IDO1 (0.47) | ALDH1A1CYP2D6CYP2C19CYP2C9CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0113922-A2 | Process for the manufacture of cationic methine dyes | BAYER AG (DE) | 1984-07-25 | — | — | EP | disclosed |
| EP-0113921-A2 | Process for the manufacture of stable solutions of cationic methine dyes | BAYER AG (DE) | 1984-07-25 | — | — | EP | disclosed |
| EP-0113920-A2 | Process for the manufacture of stable solutions of cationic methine dyes, and their use in spin dyeing | BAYER AG (DE) | 1984-07-25 | — | — | EP | disclosed |
| US-3956264-A | Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-11 | — | — | US | disclosed |