Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 6/20 | 0.50 |
| ▸ | CES1 | P23141 | 6/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | F2R | P25116 | 1/20 | 0.40 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29280636 | 0.84 | CES2 (0.50) | CES2CES1KEAP1PKMF2R | |
| SCHEMBL221445 | 0.83 | KEAP1 (0.59) | CES2CES1KEAP1PKMF2R | |
| Hydrochloric Acid SCHEMBL1372131 | 0.82 | KEAP1 (0.57) | CES2CES1KEAP1PKMF2R | |
| SCHEMBL9000270 | 0.82 | KEAP1 (0.57) | CES2CES1KEAP1PKMF2R | |
| SCHEMBL29875449 | 0.79 | ALDH1A1 (0.56) | CES2CES1ALDH1A1MAPTRAB9A | |
| SCHEMBL29280610 | 0.78 | CES2 (0.44) | CES2CES1KEAP1PKMF2R | |
| SCHEMBL2523960 | 0.78 | DGAT1 (0.50) | CES2CES1KEAP1PKMF2R | |
| SCHEMBL4649267 | 0.78 | CES2 (0.47) | CES2CES1KEAP1PKMF2R | |
| SCHEMBL31315010 | 0.78 | CES2 (0.47) | CES2CES1KEAP1PKMF2R | |
| SCHEMBL29847023 | 0.78 | F2R (0.48) | CES2CES1KEAP1PKMF2R |
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 |
|---|---|---|---|---|---|---|---|
| CN-117777172-A | Benzo five-membered ring boric acid ester-3-carboxylic acid compound and application thereof | 四川大学 | 2024-03-29 | — | — | CN | disclosed |