Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP4 | P49662 | 1/20 | 0.41 |
| ▸ | CASP5 | P51878 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | S100B | P04271 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4859488 | 0.99 | OPRD1 (0.41) | CASP1CASP4CASP5OPRD1HTR1A | |
| Hydrochloric Acid SCHEMBL4856127 | 0.98 | OPRD1 (0.39) | CASP1CASP4CASP5OPRD1HTR1A | |
| Hydrochloric Acid SCHEMBL4858188 | 0.96 | OPRD1 (0.41) | CASP1CASP4CASP5OPRD1HTR1A | |
| Hydrochloric Acid SCHEMBL4851202 | 0.92 | CASP1 (0.43) | CASP1CASP4CASP5OPRD1HTR1A | |
| Hydrochloric Acid SCHEMBL4852602 | 0.92 | CASP1 (0.37) | CASP1CASP4CASP5OPRD1HTR1A | |
| Hydrochloric Acid SCHEMBL4849538 | 0.91 | HTR1A (0.37) | CASP1CASP4CASP5OPRD1HTR1A | |
| Hydrochloric Acid SCHEMBL4849826 | 0.89 | OPRD1 (0.41) | OPRD1HTR1AADRA1BADRA2ADRD2 | |
| SCHEMBL14064665 | 0.89 | OPRD1 (0.44) | CASP1CASP4CASP5OPRD1ADORA2A | |
| Hydrochloric Acid SCHEMBL4855738 | 0.89 | CASP1 (0.38) | CASP1CASP4CASP5OPRD1HTR1A | |
| Hydrochloric Acid SCHEMBL4850189 | 0.88 | OPRD1 (0.45) | CASP1CASP4CASP5OPRD1ADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1698620-B1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | EISAI R&D MAN CO LTD (JP) | 2016-09-28 | — | — | EP | disclosed |
| EP-1698620-A1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | Eisai Co., Ltd. (JP) | 2006-09-06 | — | — | EP | disclosed |