Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GRM8 | O00222 | 3/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.42 |
| ▸ | GRM6 | O15303 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7302968 | 1.00 | ALDH1A1 (0.53) | ALDH1A1CYP2C19ACHELDHAAKR1C3 | |
| SCHEMBL9587784 | 0.81 | ACHE (0.54) | ACHELDHAAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL3828059 | 0.79 | AKR1C3 (0.65) | CYP2C19ACHELDHAAKR1C3AKR1C2 | |
| SCHEMBL5158784 | 0.79 | ACHE (0.51) | ACHELDHAAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL6366870 | 0.78 | PPARG (0.57) | ALDH1A1CYP2C19ACHELDHAAKR1C3 | |
| SCHEMBL6369033 | 0.78 | PPARG (0.57) | ALDH1A1CYP2C19ACHELDHAAKR1C3 | |
| SCHEMBL3959294 | 0.78 | PPARG (0.57) | ALDH1A1CYP2C19ACHELDHAAKR1C3 | |
| SCHEMBL27524318 | 0.77 | ACHE (0.55) | ALDH1A1CYP2C19ACHELDHAAKR1C3 | |
| SCHEMBL7038489 | 0.77 | ACHE (0.59) | ALDH1A1CYP2C19ACHELDHAAKR1C3 | |
| SCHEMBL3451872 | 0.77 | ACHE (0.55) | ALDH1A1ACHELDHAAKR1C3AKR1C2 |
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-0381235-A2 | Pyrrolidine compound and pharmaceutical use | Eisai Co., Ltd. (JP) | 1990-08-08 | — | — | EP | disclosed |