Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12929 | 1.00 | ACHE (0.66) | ACHESLC6A3SIGMAR1HPGDSMN1; SMN2 | |
| SCHEMBL12725 | 1.00 | ACHE (0.66) | ACHESLC6A3SIGMAR1HPGDSMN1; SMN2 | |
| SCHEMBL7979173 | 0.91 | L3MBTL1 (0.62) | SIGMAR1HRH3 | |
| SCHEMBL19850993 | 0.91 | L3MBTL1 (0.62) | SIGMAR1HRH3 | |
| SCHEMBL14197718 | 0.90 | ACHE (0.81) | ACHESLC6A3SIGMAR1HRH3CYP3A4 | |
| SCHEMBL14106253 | 0.90 | ACHE (0.81) | ACHESLC6A3SIGMAR1HRH3CYP3A4 | |
| SCHEMBL491602 | 0.84 | HRH3 (0.68) | HRH3 | |
| SCHEMBL12717 | 0.83 | CYP3A4 (0.66) | ACHESIGMAR1HPGDSMN1; SMN2HRH3 | |
| SCHEMBL5304179 | 0.83 | CYP3A4 (0.66) | ACHESIGMAR1HPGDSMN1; SMN2HRH3 | |
| SCHEMBL13083 | 0.83 | CYP3A4 (0.66) | ACHESIGMAR1HPGDSMN1; SMN2HRH3 |
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-2744781-B1 | FENTANYL DERIVATIVES AS PH-DEPENDENT OPIOID RECEPTOR AGONISTS | CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) | 2017-10-11 | — | — | EP | disclosed |
| EP-0088903-A2 | 1,4-Dihydropyridine-3,5-dicarboxylic acid ester derivatives | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1983-09-21 | — | — | EP | disclosed |