Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.43 |
| ▸ | IDH2 | P48735 | 1/20 | 0.43 |
| ▸ | CCNK | O75909 | 6/20 | 0.43 |
| ▸ | CDK12 | Q9NYV4 | 6/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.43 |
| ▸ | CDK2 | P24941 | 5/20 | 0.43 |
| ▸ | CDK9 | P50750 | 5/20 | 0.43 |
| ▸ | CDK7 | P50613 | 2/20 | 0.41 |
| ▸ | CCNH | P51946 | 2/20 | 0.41 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22895360 | 0.92 | PIK3CA (0.47) | HCRTR1IDH2CCNKCDK12IRAK4 | |
| SCHEMBL17031679 | 0.84 | HCRTR1 (0.49) | HCRTR1CCNKCDK12 | |
| Trifluoroacetic Acid SCHEMBL28547919 | 0.83 | HRH4 (0.54) | HCRTR1CCNKCDK12IRAK4 | |
| Trifluoroacetic Acid SCHEMBL28547917 | 0.83 | HRH4 (0.54) | HCRTR1CCNKCDK12IRAK4 | |
| SCHEMBL20145185 | 0.80 | IL1B (0.53) | IL1BNLRP3HCRTR1IDH2CCNK | |
| SCHEMBL22895689 | 0.78 | IRAK4 (0.46) | CCNKCDK12CCNT1CCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL28546420 | 0.77 | IRAK4 (0.45) | CCNKCDK12CCNT1CCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL28546424 | 0.77 | IRAK4 (0.45) | CCNKCDK12CCNT1CCNE1CDK2 | |
| SCHEMBL15440732 | 0.77 | PRKCZ (0.51) | CCNKCDK12CCNT1CCNE1CDK2 | |
| SCHEMBL25145695 | 0.75 | HCRTR1 (0.40) | HCRTR1IDH2CCNKCDK12 |
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 |