Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 3/20 | 0.37 |
| ▸ | LDHB | P07195 | 3/20 | 0.37 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21971077 | 0.77 | CYP3A4 (0.42) | CYP3A4MAOACHRM1ALOX15TBXA2R | |
| SCHEMBL24936683 | 0.73 | SELL (0.40) | CYP3A4MAOAALOX15LDHALDHB | |
| SCHEMBL19012172 | 0.71 | ESR1 (0.37) | CYP3A4MAOACHRM1ALOX15TBXA2R | |
| SCHEMBL8773048 | 0.70 | CYP3A4 (0.55) | CYP3A4MAOACHRM1ALOX15TBXA2R | |
| SCHEMBL22339 | 0.67 | CA1 (0.65) | CYP3A4MAOACHRM1ALOX15TBXA2R | |
| SCHEMBL253926 | 0.67 | CYP3A4 (0.58) | CYP3A4MAOACHRM1ALOX15TBXA2R | |
| SCHEMBL9229878 | 0.65 | ESR1 (0.46) | CYP3A4MAOACHRM1ALOX15TBXA2R | |
| SCHEMBL26666978 | 0.65 | CYP3A4 (0.39) | CYP3A4MAOACHRM1ALOX15TBXA2R | |
| Methane SCHEMBL8857034 | 0.65 | CA1 (0.61) | CYP3A4MAOACHRM1ALOX15TBXA2R | |
| Ethane SCHEMBL27680247 | 0.65 | CA1 (0.61) | CYP3A4MAOACHRM1ALOX15TBXA2R |
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-3321328-A1 | COMPOUND, COLORING COMPOSITION, INK FOR INKJET RECORDING, INKJET RECORDING METHOD, INKJET PRINTER CARTRIDGE, AND INKJET RECORDED ARTICLE | FUJIFILM Corporation (JP) | 2018-05-16 | — | — | EP | disclosed |