Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20449113 | 0.89 | SIGMAR1 (0.39) | TRPA1SIGMAR1MEN1KMT2ADRD2 | |
| SCHEMBL16401234 | 0.87 | RIPK1 (0.47) | HSD11B1POLBSLC18A3 | |
| SCHEMBL20528500 | 0.85 | SIGMAR1 (0.38) | TRPA1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL2708043 | 0.85 | USP30 (0.40) | — | |
| SCHEMBL1243016 | 0.84 | MAOB (0.37) | TRPA1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL4780061 | 0.82 | RIPK1 (0.40) | TRPA1SIGMAR1KMT2ASLC18A3CCNC | |
| SCHEMBL2705801 | 0.81 | CCNC (0.39) | TRPA1SIGMAR1KMT2ASLC18A3CCNC | |
| SCHEMBL20449215 | 0.81 | SIGMAR1 (0.46) | SIGMAR1MEN1POLBKMT2A | |
| SCHEMBL581665 | 0.80 | NOTUM (0.49) | TRPA1HSD11B1KMT2ACCNCCDK8 | |
| SCHEMBL20449354 | 0.78 | CCNC (0.37) | TRPA1CCNCCDK8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |