Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.49 |
| ▸ | MME | P08473 | 1/20 | 0.49 |
| ▸ | ACE | P12821 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3788780 | 1.00 | ACACB (0.55) | ACACBALDH1A1MAPTITGB1ITGA4 | |
| SCHEMBL9838207 | 0.92 | MME (0.57) | ALDH1A1ITGB1ITGA4MMEACE | |
| SCHEMBL25355819 | 0.86 | CYP2D6 (0.51) | ACACBALDH1A1MAPTMMEACE | |
| SCHEMBL26008300 | 0.86 | CYP2D6 (0.51) | ACACBALDH1A1MAPTMMEACE | |
| SCHEMBL31267245 | 0.86 | CYP2D6 (0.51) | ACACBALDH1A1MAPTMMEACE | |
| SCHEMBL1743843 | 0.83 | ACE (0.55) | ALDH1A1MAPTITGB1ACEITGB3 | |
| SCHEMBL7441526 | 0.81 | NPC1 (0.61) | ALDH1A1MAPTITGB1ITGA4MME | |
| SCHEMBL24136095 | 0.80 | ALOX15 (0.50) | ITGB1ITGA4MMEACELMNA | |
| SCHEMBL3788967 | 0.79 | SLC7A5 (0.55) | ALDH1A1TSHRLMNAHPGDPTGS1 | |
| SCHEMBL1744966 | 0.79 | SLC7A5 (0.55) | ALDH1A1TSHRLMNAHPGDPTGS1 |
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-2010091164-A1 | INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE | EXELIXIS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |