Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 13/20 | 0.55 |
| ▸ | NLRP3 | Q96P20 | 6/20 | 0.55 |
| ▸ | CCR6 | P51684 | 2/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.48 |
| ▸ | CCNK | O75909 | 1/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20145261 | 1.00 | IL1B (0.55) | IL1BNLRP3CCR6DPP4CCNK | |
| SCHEMBL16730436 | 0.84 | CCR6 (0.58) | IL1BNLRP3CCR6DPP4CCNK | |
| SCHEMBL20145210 | 0.83 | IL1B (0.49) | IL1BNLRP3CCNKCDK2CDK12 | |
| SCHEMBL20145208 | 0.82 | CCR6 (0.51) | CCR6DPP4CCNKCCNA2CDK2 | |
| SCHEMBL15739705 | 0.82 | HCRTR1 (0.55) | CCR6DPP4CCNKCCNA2CDK2 | |
| SCHEMBL18607634 | 0.82 | CCR6 (0.55) | CCR6DPP4CCNKCCNA2CDK2 | |
| SCHEMBL30379306 | 0.81 | IL1B (0.70) | IL1BNLRP3 | |
| SCHEMBL20145078 | 0.81 | IL1B (0.46) | IL1BNLRP3CCNKCDK12 | |
| SCHEMBL20145228 | 0.80 | IL1B (0.54) | IL1BNLRP3CCNKCDK2CDK12 | |
| SCHEMBL25798125 | 0.80 | IL1B (0.67) | IL1BNLRP3CHRNB2CHRNB4CHRNA3 |
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 |