Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29291334 | 0.87 | LMNA (0.49) | CES2CES1CYP3A4SMN1; SMN2HDAC1 | |
| SCHEMBL29291328 | 0.85 | LMNA (0.52) | CES2CES1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29291326 | 0.85 | NPC1 (0.51) | CES2CES1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29291333 | 0.84 | LMNA (0.50) | CES2CES1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL29291338 | 0.82 | ALDH1A1 (0.50) | CES2CES1CYP3A4CYP1A2SMN1; SMN2 | |
| SCHEMBL29291340 | 0.80 | CES2 (0.46) | CES2CES1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29291318 | 0.77 | CES2 (0.57) | CES2CES1GSK3BPDPK1CYP3A4 | |
| SCHEMBL29291325 | 0.76 | SMN1; SMN2 (0.46) | SMN1; SMN2NPC1RAB9ALMNATP53 | |
| SCHEMBL29291327 | 0.75 | ALDH1A1 (0.44) | CES2CES1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL29291324 | 0.73 | ALDH1A1 (0.55) | CYP3A4CYP1A2CYP2C19SMN1; SMN2NPC1 |
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-109761842-B | Synthesis method of alpha-F-beta-NHAc-carbonyl compound | 浙江工业大学 | 2021-11-30 | — | — | CN | disclosed |