Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29291314 | 0.82 | LMNA (0.59) | CES1CES2MAPK1TDP1MEN1 | |
| SCHEMBL6790664 | 0.81 | CES1 (0.65) | CES1CES2MAPK1POLBTDP1 | |
| SCHEMBL23086294 | 0.81 | CES1 (0.54) | CES1CES2MAPK1POLBTDP1 | |
| Bicarbonate SCHEMBL28889042 | 0.80 | CES1 (0.62) | CES1CES2MAPK1POLBTDP1 | |
| SCHEMBL29291319 | 0.80 | NPC1 (0.47) | CES1CES2MAPK1TDP1MEN1 | |
| SCHEMBL29291340 | 0.79 | CES2 (0.46) | CES1CES2MAPK1POLBTDP1 | |
| SCHEMBL29291311 | 0.78 | CES2 (0.47) | CES1CES2MAPK1TDP1MEN1 | |
| SCHEMBL29291317 | 0.78 | LMNA (0.46) | CES1CES2TDP1MEN1KMT2A | |
| Acetic Acid SCHEMBL11298094 | 0.78 | CES1 (0.59) | CES1CES2MAPK1POLBTDP1 | |
| SCHEMBL15695553 | 0.77 | CES1 (0.57) | CES1CES2MAPK1POLBTDP1 |
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 |