Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 2/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.53 |
| ▸ | PIM1 | P11309 | 1/20 | 0.50 |
| ▸ | IDH2 | P48735 | 1/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | CCR6 | P51684 | 3/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CCNK | O75909 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1033310 | 0.92 | MAPK1 (0.53) | IL1BIDH2CCR6HCRTR1MAPK1 | |
| SCHEMBL1033312 | 0.92 | MAPK1 (0.53) | IL1BIDH2CCR6HCRTR1MAPK1 | |
| SCHEMBL6573805 | 0.92 | MAPK1 (0.53) | IL1BIDH2CCR6HCRTR1MAPK1 | |
| SCHEMBL17741141 | 0.86 | CCR6 (0.48) | CCR6HCRTR1MAPK1 | |
| Hydrochloric Acid SCHEMBL17729593 | 0.84 | CCR6 (0.47) | CCR6HCRTR1MAPK1 | |
| SCHEMBL18607634 | 0.84 | CCR6 (0.55) | PIM1CCR6HCRTR1CCNKCDK2 | |
| SCHEMBL15739705 | 0.84 | HCRTR1 (0.55) | CCR6HCRTR1CCNKCDK2CDK12 | |
| SCHEMBL6576773 | 0.84 | NPY5R (0.50) | CCR6MAPK1CCNKCDK2CDK12 | |
| SCHEMBL3328240 | 0.83 | MAPK1 (0.63) | PIM1CCR6HCRTR1MAPK1CCNK | |
| SCHEMBL25258456 | 0.82 | IDH2 (0.56) | IDH2CHEK1CCNT1CCNKCCNE1 |
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-2970207-B1 | SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-16 | — | — | EP | disclosed |