Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARD | Q03181 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL11582477 | 0.89 | CA12 (0.52) | ALDH1A1CYP2C19KCNQ2LMNAACHE | |
| SCHEMBL31614252 | 0.88 | ALDH1A1 (0.47) | ALDH1A1CYP2C19KCNQ2LMNAAKR1C3 | |
| SCHEMBL11001026 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP2C19KCNQ2LMNAACHE | |
| SCHEMBL16865514 | 0.87 | TAS1R3 (0.48) | ALDH1A1CYP2C19KCNQ2LMNAACHE | |
| SCHEMBL25304057 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CYP2C19KCNQ2LMNAACHE | |
| SCHEMBL6432599 | 0.85 | PAX8 (0.53) | ALDH1A1CYP2C19KCNQ2LMNAACHE | |
| SCHEMBL3828059 | 0.85 | AKR1C3 (0.65) | CYP2C19KCNQ2LMNAACHEPPARG | |
| SCHEMBL30990182 | 0.85 | ACHE (0.54) | ALDH1A1CYP2C19KCNQ2LMNAACHE | |
| SCHEMBL9589600 | 0.85 | PPARG (0.50) | ALDH1A1CYP2C19KCNQ2LMNAACHE | |
| SCHEMBL9000813 | 0.84 | EPHX2 (0.48) | ALDH1A1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | disclosed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | disclosed |