Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5217775 | 0.90 | GSK3B (0.56) | LDHAGSK3BALDH1A1CYP1A2CES2 | |
| SCHEMBL2290396 | 0.83 | ALDH1A1 (0.60) | LDHAGSK3BALDH1A1CYP1A2CES2 | |
| SCHEMBL7100665 | 0.80 | ALDH1A1 (0.63) | GSK3BTDP1ALDH1A1CYP1A2NPC1 | |
| SCHEMBL16171211 | 0.80 | ALDH1A1 (0.51) | LDHATDP1ALDH1A1CYP1A2CES2 | |
| SCHEMBL12489656 | 0.80 | ALDH1A1 (0.48) | LDHAGSK3BTDP1ALDH1A1CYP1A2 | |
| SCHEMBL5940583 | 0.80 | RAB9A (0.61) | GSK3BALDH1A1CES2CES1NPC1 | |
| SCHEMBL14275249 | 0.80 | CES2 (0.73) | LDHAGSK3BALDH1A1CES2CES1 | |
| SCHEMBL23295612 | 0.79 | HDAC3 (0.50) | GSK3BTDP1ALDH1A1CYP1A2CES2 | |
| Alcohol SCHEMBL2947640 | 0.77 | IDO1 (0.54) | LDHAALDH1A1SMN1; SMN2SLC6A4CA1 | |
| SCHEMBL27329 | 0.77 | IDO1 (0.58) | LDHAALDH1A1SMN1; SMN2SLC6A4CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007098090-A2 | TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH N-OXIDES OF ESTROGEN RECEPTOR MODULATORS | NOVACEA, INC. (US) | 2007-08-30 | — | — | WO | disclosed |