Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | PRCP | P42785 | 1/20 | 0.47 |
| ▸ | GHSR | Q92847 | 8/20 | 0.46 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8664410 | 0.83 | HDAC8 (0.54) | HDAC8SLC22A1PRCPCACNA1G | |
| SCHEMBL27386827 | 0.77 | SLC22A1 (0.60) | HDAC8SLC22A1PRCPADRB2 | |
| SCHEMBL14615969 | 0.77 | SLC22A1 (0.60) | HDAC8SLC22A1PRCPADRB2 | |
| SCHEMBL2564483 | 0.75 | PARP1 (0.37) | GHSR | |
| SCHEMBL9142562 | 0.73 | CYP3A4 (0.49) | HDAC8CACNA1G | |
| SCHEMBL9437533 | 0.72 | GLA (0.58) | HDAC8SLC22A1PRCPGHSRADRB2 | |
| SCHEMBL9437531 | 0.72 | GLA (0.58) | HDAC8SLC22A1PRCPGHSRADRB2 | |
| SCHEMBL6936657 | 0.72 | GLA (0.58) | HDAC8SLC22A1PRCPGHSRADRB2 | |
| SCHEMBL12534333 | 0.72 | — | — | |
| SCHEMBL9051041 | 0.72 | SLC6A2 (0.44) | PRCP |
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-2009001203-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2008-12-31 | — | — | WO | disclosed |