Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29846834 | 0.92 | NPC1 (0.49) | NPSR1CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL25399616 | 0.87 | NPSR1 (0.49) | NPSR1CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL25399623 | 0.87 | NPSR1 (0.49) | NPSR1CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL29846698 | 0.85 | NPSR1 (0.55) | NPSR1CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL29846835 | 0.84 | CYP3A4 (0.60) | NPSR1CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL29846696 | 0.80 | POLB (0.52) | NPSR1CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL25400116 | 0.80 | POLB (0.51) | CYP2C19CYP3A4LMNAALDH1A1CYP1A2 | |
| SCHEMBL29846443 | 0.80 | POLB (0.51) | CYP2C19CYP3A4LMNAALDH1A1CYP1A2 | |
| SCHEMBL25399344 | 0.79 | NPC1 (0.48) | NPSR1CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL25399350 | 0.79 | NPC1 (0.48) | NPSR1CYP2C19CYP3A4LMNAALDH1A1 |
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 |