Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A9 | P06702 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17177773 | 0.78 | PTGS2 (0.35) | — | |
| SCHEMBL17196425 | 0.78 | HRH4 (0.36) | S100A9PIK3CAMTOR | |
| SCHEMBL17196389 | 0.75 | HTT (0.37) | — | |
| SCHEMBL16511461 | 0.75 | ALDH1A1 (0.45) | S100A9 | |
| SCHEMBL17173657 | 0.74 | LOXL2 (0.31) | PIK3CA | |
| SCHEMBL17196466 | 0.71 | LRRK2 (0.38) | PIK3CAMTOR | |
| SCHEMBL17196390 | 0.71 | — | — | |
| SCHEMBL21089245 | 0.70 | PTGS2 (0.32) | — | |
| SCHEMBL17196470 | 0.69 | CNR2 (0.33) | — | |
| SCHEMBL17177764 | 0.67 | HRH4 (0.39) | S100A9 |
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-2015158427-A1 | HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES | Grünenthal GmbH (DE) | 2015-10-22 | — | — | WO | disclosed |