Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29846945 | 0.92 | NPSR1 (0.50) | NPC1KMT2APOLBCYP2C19CYP1A2 | |
| SCHEMBL25399350 | 0.87 | NPC1 (0.48) | NPC1KMT2APOLBCYP2C19CYP1A2 | |
| SCHEMBL25399344 | 0.87 | NPC1 (0.48) | NPC1KMT2APOLBCYP2C19CYP1A2 | |
| SCHEMBL29846696 | 0.86 | POLB (0.52) | NPC1KMT2APOLBCYP2C19CYP1A2 | |
| SCHEMBL29846688 | 0.82 | KDM4E (0.54) | NPC1KMT2APOLBCYP2C19CYP1A2 | |
| SCHEMBL29846698 | 0.80 | NPSR1 (0.55) | POLBCYP2C19CYP1A2HPGDALDH1A1 | |
| SCHEMBL29846835 | 0.80 | CYP3A4 (0.60) | NPC1KMT2ACYP2C19CYP1A2HPGD | |
| SCHEMBL25399623 | 0.79 | NPSR1 (0.49) | NPC1KMT2APOLBCYP2C19CYP1A2 | |
| SCHEMBL25399616 | 0.79 | NPSR1 (0.49) | NPC1KMT2APOLBCYP2C19CYP1A2 | |
| SCHEMBL24518129 | 0.78 | POLB (0.62) | NPC1KMT2APOLBCYP2C19CYP1A2 |
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 |