Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 3/20 | 0.40 |
| ▸ | RARA | P10276 | 2/20 | 0.40 |
| ▸ | RARG | P13631 | 1/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8228050 | 0.78 | CA12 (0.43) | TSHRCA12ALDH1A1CA1CA2 | |
| SCHEMBL366061 | 0.74 | CES2 (0.71) | CYP1A2CES2CES1ALBKEAP1 | |
| SCHEMBL30641680 | 0.74 | RARB (0.60) | CYP1A2CES2CES1RARBRARA | |
| SCHEMBL16534058 | 0.74 | RARB (0.60) | CYP1A2CES2CES1RARBRARA | |
| SCHEMBL10187271 | 0.73 | CES2 (0.41) | CES2CES1CA9CA14NFE2L2 | |
| Hydrochloric Acid SCHEMBL15570633 | 0.72 | CES2 (0.68) | CYP1A2CES2CES1ALBKEAP1 | |
| SCHEMBL28846894 | 0.72 | CES2 (0.68) | CYP1A2CES2CES1ALBKEAP1 | |
| SCHEMBL4962246 | 0.72 | CES2 (0.68) | CYP1A2CES2CES1ALBKEAP1 | |
| SCHEMBL311907 | 0.72 | CA12 (0.61) | CYP1A2CES2CES1RARBRARA | |
| Lithium SCHEMBL29975393 | 0.72 | CES2 (0.68) | CYP1A2CES2CES1ALBKEAP1 |
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-3321268-A1 | BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF | Agency For Science, Technology And Research (SG) | 2018-05-16 | — | — | EP | disclosed |