Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.36 |
| ▸ | S100A9 | P06702 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 4/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16511461 | 0.81 | ALDH1A1 (0.45) | S100A9PTGS2PTGS1ALDH1A1NPSR1 | |
| SCHEMBL17177764 | 0.81 | HRH4 (0.39) | HRH4S100A9PTGS2PTGS1NR1H2 | |
| SCHEMBL17196389 | 0.79 | HTT (0.37) | PTGS2PTGS1ALDH1A1NPSR1BRD4 | |
| SCHEMBL17196402 | 0.78 | S100A9 (0.32) | S100A9MTORPIK3CA | |
| SCHEMBL17196466 | 0.78 | LRRK2 (0.38) | MTORPIK3CA | |
| SCHEMBL17173636 | 0.77 | PTGS2 (0.36) | HRH4S100A9PTGS2PTGS1NR1H2 | |
| SCHEMBL17196470 | 0.72 | CNR2 (0.33) | — | |
| SCHEMBL24714798 | 0.71 | MAPT (0.34) | S100A9MTORPIK3CAPTGS2PTGS1 | |
| SCHEMBL20321338 | 0.71 | NOS3 (0.41) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL7115171 | 0.71 | PARP1 (0.37) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |