Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL28214769 | 0.83 | HCRTR1 (0.48) | HCRTR1HCRTR2S1PR1SCN9ACNR2 | |
| Hydrochloric Acid SCHEMBL30605726 | 0.82 | HCRTR1 (0.48) | HCRTR1HCRTR2S1PR1SCN9ACNR2 | |
| Hydrochloric Acid SCHEMBL21065175 | 0.81 | HCRTR1 (0.45) | HCRTR1HCRTR2S1PR1SCN9AACP1 | |
| SCHEMBL16463722 | 0.78 | HCRTR1 (0.46) | HCRTR1HCRTR2S1PR1SCN9AACP1 | |
| SCHEMBL16463721 | 0.78 | HCRTR1 (0.46) | HCRTR1HCRTR2S1PR1SCN9AACP1 | |
| SCHEMBL21065081 | 0.78 | NR1H4 (0.55) | HCRTR1HCRTR2S1PR1 | |
| SCHEMBL21065075 | 0.77 | S1PR1 (0.49) | HCRTR1HCRTR2S1PR1 | |
| Hydrochloric Acid SCHEMBL17064071 | 0.77 | HCRTR1 (0.45) | HCRTR1HCRTR2S1PR1SCN9AACP1 | |
| Hydrochloric Acid SCHEMBL17064070 | 0.77 | HCRTR1 (0.45) | HCRTR1HCRTR2S1PR1SCN9AACP1 | |
| SCHEMBL16464687 | 0.75 | NPC1 (0.51) | — |
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-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |