Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17571423 | 1.00 | SCN9A (0.35) | SCN9AGPR119CACNA1GCACNA1BCACNA1C | |
| SCHEMBL17559710 | 0.88 | SCN9A (0.37) | SCN9AGPR119DGAT1GPBAR1MEN1 | |
| SCHEMBL19435372 | 0.84 | CACNA1G (0.35) | CACNA1GCACNA1BCACNA1CMEN1KMT2A | |
| SCHEMBL19435374 | 0.84 | CACNA1G (0.35) | CACNA1GCACNA1BCACNA1CMEN1KMT2A | |
| SCHEMBL19435338 | 0.75 | CACNA1G (0.34) | CACNA1GCACNA1BCACNA1CMEN1KMT2A | |
| SCHEMBL19435335 | 0.75 | CACNA1G (0.34) | CACNA1GCACNA1BCACNA1CMEN1KMT2A | |
| SCHEMBL19435341 | 0.74 | HCRTR1 (0.43) | — | |
| SCHEMBL22679502 | 0.73 | SCN9A (0.34) | SCN9AGAAALOX12CRHR1 | |
| SCHEMBL17571390 | 0.73 | SCN9A (0.34) | SCN9AGAAALOX12CRHR1 | |
| SCHEMBL30859956 | 0.69 | TIPARP (0.49) | GPR119 |
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-3189043-B1 | THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR | C4X DISCOVERY LTD (GB) | 2020-11-18 | — | — | EP | disclosed |