Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | TNF | P01375 | 2/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL20592075 | 0.79 | ALDH1A1 (0.49) | ALDH1A1CYP2C19ACHETNFPPARG | |
| SCHEMBL3143418 | 0.79 | ACHE (0.54) | CYP2C19ACHETNFLDHAPPARG | |
| Bicarbonate SCHEMBL7262670 | 0.76 | CYP2C19 (0.52) | ALDH1A1CYP2C19ACHELDHAPPARG | |
| SCHEMBL4099979 | 0.76 | ACHE (0.54) | ALDH1A1CYP2C19ACHETNFLDHA | |
| SCHEMBL475204 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CYP2C19POLB | |
| SCHEMBL3042994 | 0.73 | CYP2C19 (0.52) | ALDH1A1CYP2C19ACHEPPARGPPARD | |
| SCHEMBL7302979 | 0.73 | ALDH1A1 (0.53) | ALDH1A1CYP2C19ACHELDHAPPARG | |
| SCHEMBL7302968 | 0.73 | ALDH1A1 (0.53) | ALDH1A1CYP2C19ACHELDHAPPARG | |
| SCHEMBL27634402 | 0.72 | ACHE (0.54) | ACHETNFLDHAPPARGPPARD | |
| SCHEMBL6572121 | 0.71 | ALDH1A1 (0.61) | ALDH1A1CYP2C19ACHETNFPPARG |
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 |