Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.51 |
| ▸ | GRM5 | P41594 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.37 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29846887 | 0.81 | P2RX7 (0.54) | P2RX7HPGDALDH1A1MMP13 | |
| SCHEMBL29846396 | 0.81 | P2RY12 (0.48) | HPGDALDH1A1CTSA | |
| SCHEMBL29845971 | 0.79 | ALDH1A1 (0.51) | HPGDALDH1A1MAPTLMNACYP1A2 | |
| SCHEMBL29846514 | 0.78 | ITGAV (0.39) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29846471 | 0.77 | HIF1A (0.47) | ALDH1A1MMP13MAPTLMNACYP1A2 | |
| SCHEMBL29846928 | 0.76 | CYP1A2 (0.56) | ALDH1A1MAPTLMNACYP1A2CYP2D6 | |
| SCHEMBL29846367 | 0.76 | P2RX7 (0.50) | P2RX7GRM5HPGDALDH1A1CTSA | |
| SCHEMBL29846762 | 0.75 | POLB (0.55) | HTR1ANPC1RAB9A | |
| SCHEMBL3946632 | 0.74 | HPGD (0.68) | P2RX7GRM5HPGDALDH1A1MMP13 | |
| SCHEMBL29847154 | 0.73 | ADORA2A (0.39) | GRM5HPGDADORA2AADORA1MMP13 |
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-2022123530-A1 | BORONIC ACID COMPOUND | 주식회사 엘지화학 | 2022-06-16 | — | — | WO | disclosed |