Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMO | Q99835 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29291316 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CES2CES1NPC1RAB9A | |
| SCHEMBL44517 | 0.79 | LMNA (0.57) | ALDH1A1CES2CES1NPC1RAB9A | |
| SCHEMBL29291314 | 0.77 | LMNA (0.59) | ALDH1A1CES2CES1LMNATSHR | |
| SCHEMBL31521462 | 0.76 | CES2 (0.58) | ALDH1A1CES2CES1SMOPOLB | |
| SCHEMBL30377424 | 0.76 | CES2 (0.58) | ALDH1A1CES2CES1SMOPOLB | |
| SCHEMBL29291330 | 0.76 | GPR139 (0.44) | ALDH1A1CES2CES1NPC1RAB9A | |
| SCHEMBL11371587 | 0.75 | POLB (0.51) | ALDH1A1CES2CES1NPC1RAB9A | |
| SCHEMBL28032552 | 0.74 | CES2 (0.60) | ALDH1A1CES2CES1NPC1RAB9A | |
| SCHEMBL29031768 | 0.72 | ALDH1A1 (0.83) | ALDH1A1CES2CES1SMOPOLB | |
| SCHEMBL29291319 | 0.71 | NPC1 (0.47) | ALDH1A1CES2CES1NPC1RAB9A |
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-109734571-B | Method for synthesizing alpha-F-beta-OH-carbonyl compound | 浙江工业大学 | 2021-11-30 | — | — | CN | disclosed |