Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL9029347 | 0.73 | ROCK2 (0.37) | GPBAR1CTSAKDM4EGAA | |
| SCHEMBL8745964 | 0.69 | ITGB1 (0.41) | ITGB1ITGA4KDM4ECYP2D6CYP2C19 | |
| SCHEMBL8745917 | 0.68 | HPGD (0.41) | CTSAKDM4EGAACYP2C19CYP3A4 | |
| SCHEMBL9030025 | 0.67 | GPBAR1 (0.38) | GPBAR1 | |
| SCHEMBL907693 | 0.65 | ALDH1A1 (0.39) | KDM4EGAACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL8828257 | 0.63 | CASP3 (0.36) | ITGB1ITGA4GPBAR1KDM4EGAA | |
| SCHEMBL8326882 | 0.62 | MAPT (0.40) | GPBAR1GAAPOLB | |
| SCHEMBL1838498 | 0.61 | ESR1 (0.52) | ESR1KDM4EGAACYP2D6SLC22A2 | |
| SCHEMBL8577603 | 0.61 | GAA (0.47) | ESR1GAACYP2D6CYP2C19CYP3A4 | |
| SCHEMBL11352667 | 0.60 | RAB9A (0.41) | ITGB1ITGA4GPBAR1KDM4EGAA |
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-0758323-A1 | HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF | ZENECA LIMITED (GB) | 1997-02-19 | — | — | EP | disclosed |