Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 12/20 | 0.65 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SCD | O00767 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL29846778 | 0.89 | SMN1; SMN2 (0.53) | SMN1; SMN2RAB9ANPC1POLBALDH1A1 | |
| SCHEMBL29846875 | 0.88 | CYP1A2 (0.63) | SMN1; SMN2RAB9ANPC1POLBALDH1A1 | |
| SCHEMBL29846635 | 0.80 | SMN1; SMN2 (0.39) | SMN1; SMN2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29846439 | 0.79 | SMN1; SMN2 (0.37) | SMN1; SMN2 | |
| SCHEMBL29846956 | 0.79 | SMN1; SMN2 (0.38) | SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL29846802 | 0.76 | TAS1R3 (0.43) | MEN1KMT2ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29846366 | 0.76 | ROCK2 (0.50) | RAB9ANPC1POLBMAPK1 | |
| SCHEMBL29847152 | 0.76 | EPHX2 (0.51) | — | |
| SCHEMBL29846664 | 0.75 | KMT2A (0.50) | SMN1; SMN2RAB9AALDH1A1KMT2A | |
| SCHEMBL29846951 | 0.74 | CHRNB2 (0.57) | MEN1KMT2AMAPK1 |
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 |