Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | GRM8 | O00222 | 1/20 | 0.40 |
| ▸ | GRM6 | O15303 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7128925 | 0.81 | ABCB11 (0.52) | CYP1A2CYP2D6CYP2C19AOC3L3MBTL1 | |
| SCHEMBL6320389 | 0.79 | SLC6A4 (0.55) | CYP1A2CYP2D6CYP2C19AOC3SLC6A4 | |
| SCHEMBL6319526 | 0.79 | SLC6A4 (0.55) | CYP1A2CYP2D6CYP2C19AOC3SLC6A4 | |
| SCHEMBL6327248 | 0.79 | SLC6A4 (0.55) | CYP1A2CYP2D6CYP2C19AOC3SLC6A4 | |
| SCHEMBL1439841 | 0.77 | CYP1A2 (0.63) | KIF11CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL1439844 | 0.77 | CYP1A2 (0.63) | KIF11CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL1554077 | 0.77 | CYP1A2 (0.63) | KIF11CYP1A2CYP2D6CYP2C19AOC3 | |
| Hydrochloric Acid SCHEMBL7600257 | 0.76 | CYP1A2 (0.61) | KIF11CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL334385 | 0.76 | SLC6A4 (0.66) | KIF11CYP1A2CYP2D6CYP2C19SLC6A4 | |
| Hydrochloric Acid SCHEMBL7595427 | 0.76 | CYP1A2 (0.61) | KIF11CYP1A2CYP2D6CYP2C19AOC3 |
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-1230210-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036375-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-25 | — | — | WO | disclosed |