Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 2/20 | 0.36 |
| ▸ | IDH1 | O75874 | 3/20 | 0.35 |
| ▸ | EBP | Q15125 | 3/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TTK | P33981 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5016689 | 1.00 | ALK (0.36) | ALKIDH1EBPOPRD1KCNH2 | |
| Hydrochloric Acid SCHEMBL4853417 | 0.99 | ALK (0.36) | ALKIDH1EBPOPRD1KCNH2 | |
| SCHEMBL6021725 | 0.99 | ALK (0.36) | ALKIDH1EBPOPRD1KCNH2 | |
| Hydrochloric Acid SCHEMBL4857230 | 0.94 | OPRD1 (0.34) | IDH1OPRD1HTR1A | |
| Hydrochloric Acid SCHEMBL4851134 | 0.93 | OPRD1 (0.35) | OPRD1 | |
| Hydrochloric Acid SCHEMBL4858128 | 0.92 | EBP (0.35) | ALKIDH1EBPOPRD1KCNH2 | |
| Hydrochloric Acid SCHEMBL4849813 | 0.91 | OPRD1 (0.38) | ALKEBPOPRD1KCNH2HTR1A | |
| Hydrochloric Acid SCHEMBL4854347 | 0.91 | OPRK1 (0.34) | IDH1OPRD1HTR1ACDK9 | |
| Hydrochloric Acid SCHEMBL4857361 | 0.90 | OPRD1 (0.37) | ALKEBPOPRD1HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL4859625 | 0.89 | EBP (0.34) | ALKIDH1EBPOPRD1KCNH2 |
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-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 |