Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.66 |
| ▸ | CES2 | O00748 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MITF | O75030 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8942192 | 0.88 | TDP1 (0.58) | CES1CES2TDP1MAPK1POLB | |
| SCHEMBL27490020 | 0.84 | MAPK1 (0.61) | CES1CES2TDP1MAPK1ALDH1A1 | |
| SCHEMBL15695553 | 0.83 | CES1 (0.57) | CES1CES2TDP1MAPK1POLB | |
| SCHEMBL11068120 | 0.83 | TSHR (0.59) | CES1CES2TDP1MAPK1POLB | |
| Isopropyl Alcohol SCHEMBL27582893 | 0.83 | MAPK1 (0.70) | CES1CES2TDP1MAPK1POLB | |
| SCHEMBL4875245 | 0.82 | MAPK1 (0.62) | CES1CES2TDP1MAPK1POLB | |
| SCHEMBL16398113 | 0.82 | NPC1 (0.57) | CES1CES2TDP1MAPK1POLB | |
| SCHEMBL1397470 | 0.81 | KMT2A (0.58) | CES1CES2TDP1MAPK1POLB | |
| SCHEMBL18304251 | 0.81 | CES1 (0.50) | CES1CES2TDP1MAPK1POLB | |
| SCHEMBL3124518 | 0.80 | MAPK1 (0.60) | CES1CES2TDP1MAPK1ALDH1A1 |
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-105254483-A | Method for preparing 2-methyl-1,3-dicarbonyl derivative | UNIV SOOCHOW | 2016-01-20 | — | — | CN | disclosed |