Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.37 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CASP7 | P55210 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5133695 | 0.79 | PDE10A (0.41) | CYP2C9ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4903712 | 0.76 | PDE5A (0.52) | ADORA1ADORA2AADORA2BALDH1A1HPGD | |
| SCHEMBL15779863 | 0.71 | DRD4 (0.53) | CYP2C9ALDH1A1HPGDHSD17B10ALOX15 | |
| SCHEMBL16373532 | 0.67 | ATM (0.52) | CYP2C9ALDH1A1HPGDNPSR1POLB | |
| SCHEMBL17788488 | 0.64 | HCAR2 (0.46) | CYP2C9ALDH1A1HPGDNPSR1POLB | |
| SCHEMBL15941389 | 0.64 | DRD4 (0.54) | CYP2C9ALDH1A1HPGDHSD17B10ALOX15 | |
| SCHEMBL3122462 | 0.64 | PDE5A (0.36) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5133805 | 0.64 | DRD1 (0.45) | CACNA2D1CYP2D6POLB | |
| SCHEMBL20083830 | 0.63 | DRD4 (0.53) | CYP2C9ALDH1A1HPGDHSD17B10ALOX15 | |
| SCHEMBL9608917 | 0.63 | DRD4 (0.55) | CYP2C9ALDH1A1HPGDHSD17B10ALOX15 |
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-2008071650-A2 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-06-19 | — | — | WO | disclosed |