Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1A | O00555 | 2/20 | 0.56 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.56 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.56 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.56 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.56 |
| ▸ | ACP3 | P15309 | 1/20 | 0.53 |
| ▸ | TACR1 | P25103 | 8/20 | 0.52 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | EEF2K | O00418 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4429372 | 0.87 | CNR2 (0.51) | CACNA1ACACNA2D1CACNB1CACNA1BCACNA1C | |
| SCHEMBL4431819 | 0.87 | CYP2C19 (0.55) | CACNA1ACACNA2D1CACNB1CACNA1BCACNA1C | |
| SCHEMBL5607267 | 0.86 | FFAR1 (0.60) | CACNA1ACACNA2D1CACNB1CACNA1BCACNA1C | |
| Trifluoroacetic Acid SCHEMBL29921749 | 0.84 | CYP2C19 (0.56) | TACR1CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL6378333 | 0.84 | CYP2C19 (0.56) | TACR1CYP2C19 | |
| SCHEMBL1383474 | 0.84 | CYP2C19 (0.67) | CYP2C19 | |
| SCHEMBL4441848 | 0.83 | CACNA1A (0.57) | CACNA1ACACNA2D1CACNB1CYP2C19FFAR1 | |
| Hydrochloric Acid SCHEMBL29096814 | 0.82 | CYP2C19 (0.65) | CYP2C19 | |
| Hydrochloric Acid SCHEMBL5011439 | 0.82 | CYP2C19 (0.65) | CYP2C19 | |
| SCHEMBL11080075 | 0.81 | CES2 (0.47) | ACP3PDPK1CNR2FFAR1KIF11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |