Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 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 | 0.85 | LMNA (0.49) | CES2CES1SMN1; SMN2TP53KMT2A | |
| SCHEMBL29291328 | 0.83 | LMNA (0.52) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29291326 | 0.83 | NPC1 (0.51) | CES2CES1NPC1SMN1; SMN2TP53 | |
| SCHEMBL29291333 | 0.82 | LMNA (0.50) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29291338 | 0.80 | ALDH1A1 (0.50) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29291323 | 0.80 | CES2 (0.49) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29291313 | 0.79 | CES1 (0.53) | CES2CES1NPC1RAB9AMAPK1 | |
| Acetic Acid SCHEMBL11298094 | 0.77 | CES1 (0.59) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6790664 | 0.75 | CES1 (0.65) | CES2CES1MAPK1KMT2AMEN1 | |
| SCHEMBL29291325 | 0.74 | SMN1; SMN2 (0.46) | NPC1RAB9ASMN1; SMN2TP53KMT2A |
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 |