Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | RBP4 | P02753 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL4849444 | 0.86 | SMN1; SMN2 (0.44) | CNR2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL4853133 | 0.79 | OPRM1 (0.42) | OPRL1 | |
| Hydrochloric Acid SCHEMBL4857669 | 0.79 | DRD2 (0.50) | ASAH1 | |
| SCHEMBL4849606 | 0.79 | SLC6A2 (0.41) | — | |
| SCHEMBL4886846 | 0.78 | DRD2 (0.44) | ASAH1CHRM1CHRM5 | |
| Hydrochloric Acid SCHEMBL4856217 | 0.78 | DRD2 (0.43) | ASAH1CHRM1CHRM5 | |
| SCHEMBL27642929 | 0.73 | SCD5 (0.44) | SCD5PTGDR2HSD11B1RBP4NPC1 | |
| SCHEMBL23034991 | 0.72 | SCD5 (0.60) | SCD5PTGDR2HSD11B1RBP4OPRL1 | |
| SCHEMBL27623434 | 0.70 | NPC1 (0.44) | SCD5PTGDR2HSD11B1RBP4NPC1 | |
| SCHEMBL2364516 | 0.67 | GRM5 (0.44) | SCD5PTGDR2HSD11B1RBP4NPC1 |
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 |