Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL30755343 | 0.79 | CES2 (0.59) | CES1TSHRALDH1A1CES2LMNA | |
| SCHEMBL540105 | 0.79 | CES2 (0.59) | CES1TSHRALDH1A1CES2LMNA | |
| SCHEMBL4284153 | 0.78 | CES1 (0.61) | CES1CA1CA2TDP1MAPK1 | |
| SCHEMBL26730194 | 0.78 | CES1 (0.59) | CES1CA1CA2TDP1MAPK1 | |
| SCHEMBL1398000 | 0.77 | CES1 (0.64) | CES1CA1CA2TDP1MAPK1 | |
| SCHEMBL10940236 | 0.77 | CES1 (0.64) | CES1CA1CA2TDP1MAPK1 | |
| SCHEMBL476150 | 0.77 | MAPK1 (0.60) | CES1CA1CA2TDP1MAPK1 | |
| SCHEMBL8986233 | 0.76 | CES1 (0.49) | CES1CA1CA2TDP1MAPK1 | |
| SCHEMBL16925496 | 0.75 | TDP1 (0.65) | CES1CA1CA2TDP1MAPK1 | |
| SCHEMBL9322098 | 0.75 | TSHR (0.63) | CES1CA1CA2TDP1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1108659-A | Trifluoroisopropenyl zinc reagent and its derivate application | SHANGHAI INST ORGANIC CHEM (CN) | 1995-09-20 | — | — | CN | disclosed |
| CN-1027539-C | Preparation method of fluorine-containing isopropenyl zinc reagent and derivative thereof | SHANGHAI INST ORGANIC CHEM (CN) | 1995-02-01 | — | — | CN | disclosed |
| CN-1051911-A | Trifluoroisopropenyl zinc reagent and derivative, preparation and application thereof | SHANGHAI ORGANIC CHEMESTRY INS (CN) | 1991-06-05 | — | — | CN | disclosed |