Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CTBP2 | P56545 | 3/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6509671 | 0.85 | ALDH1A1 (0.46) | ALDH1A1POLBCTBP2SLC7A5CYP1A2 | |
| SCHEMBL14228386 | 0.82 | AKR1B1 (0.58) | ALDH1A1POLBCYP1A2CYP2C19AKR1B1 | |
| SCHEMBL13285692 | 0.80 | CTBP2 (0.39) | ALDH1A1CTBP2CES2CES1AKR1B1 | |
| SCHEMBL1426756 | 0.80 | MAOB (0.51) | — | |
| Water SCHEMBL27932850 | 0.80 | AKR1B1 (0.56) | ALDH1A1POLBCYP1A2CYP2C19AKR1B1 | |
| SCHEMBL10291819 | 0.79 | SLC7A5 (0.55) | ALDH1A1SLC7A5 | |
| SCHEMBL21997278 | 0.79 | GRIA2 (0.50) | ALDH1A1GRIA2 | |
| SCHEMBL12686010 | 0.78 | CTBP2 (0.51) | ALDH1A1POLBCTBP2 | |
| SCHEMBL13905068 | 0.78 | BCL2 (0.47) | ALDH1A1SLC7A5CYP1A2CYP2C19 | |
| SCHEMBL13554933 | 0.78 | ENPP2 (0.44) | ALDH1A1POLBCTBP2SLC7A5 |
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-1979360-B1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2009-10-14 | — | — | EP | disclosed |