Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28427974 | 0.82 | CES2 (0.51) | CES2CES1KEAP1RAB9ANPC1 | |
| SCHEMBL28406515 | 0.81 | DAO (0.52) | CES2CES1KEAP1RAB9ANPC1 | |
| SCHEMBL19707240 | 0.80 | CES2 (0.66) | CES2CES1KEAP1RAB9ANPC1 | |
| SCHEMBL21551769 | 0.79 | POLB (0.49) | CES2CES1KEAP1RAB9ANPC1 | |
| SCHEMBL29291327 | 0.77 | ALDH1A1 (0.44) | CES2CES1KEAP1RAB9ANPC1 | |
| SCHEMBL29291314 | 0.75 | LMNA (0.59) | CES2CES1ALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL27829554 | 0.75 | DAO (0.52) | CES2CES1KEAP1RAB9ANPC1 | |
| SCHEMBL11496475 | 0.75 | ALDH1A1 (0.58) | CES2CES1KEAP1RAB9ANPC1 | |
| SCHEMBL26056789 | 0.73 | CES2 (0.66) | CES2CES1KEAP1RAB9ANPC1 | |
| SCHEMBL27628035 | 0.71 | POLB (0.59) | CES2CES1KEAP1RAB9ANPC1 |
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 |