Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | CETP | P11597 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | MDM4 | O15151 | 2/20 | 0.51 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11353345 | 0.87 | CETP (0.55) | CETPALDH1A1RAB9AGAASMN1; SMN2 | |
| SCHEMBL11359720 | 0.82 | CETP (0.54) | CETPRAB9ASMN1; SMN2L3MBTL1KMT2A | |
| SCHEMBL11360737 | 0.82 | CETP (0.54) | TDP1CETPALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL11367064 | 0.81 | CETP (0.51) | TDP1CETPALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL1023209 | 0.76 | MAPT (0.83) | TDP1MAPTTP53MDM4MDM2 | |
| SCHEMBL34933 | 0.76 | TDP1 (0.72) | TDP1MAPTCETPTP53MDM4 | |
| SCHEMBL30513822 | 0.76 | L3MBTL1 (0.47) | TDP1MAPTCETPALDH1A1RAB9A | |
| SCHEMBL30548748 | 0.76 | MAOA (0.44) | MAPTCETPALDH1A1RAB9AGAA | |
| SCHEMBL20495594 | 0.76 | MAOA (0.44) | MAPTCETPALDH1A1RAB9AGAA | |
| SCHEMBL28189189 | 0.75 | KMT2A (0.76) | TDP1MAPTTP53MDM4MDM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109369504-B | Preparation method of sulfur-containing 3-methylene isoindoline-1-ketone derivative | 温州大学 | 2020-05-12 | — | — | CN | disclosed |
| CN-109369504-A | The preparation method of sulfur-bearing 3- methylene 1-isoindolinone derivative | 温州大学 | 2019-02-22 | — | — | CN | disclosed |