Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL504244 | 0.90 | RECQL (0.47) | SMN1; SMN2TSHRCES1HSD11B1HTT | |
| SCHEMBL11057570 | 0.87 | CES1 (0.45) | SMN1; SMN2TSHRCES1HSD11B1HTT | |
| SCHEMBL36374 | 0.87 | CES1 (0.48) | SMN1; SMN2TSHRCES1CYP2C19POLB | |
| Trifluoromethanesulfonic Acid SCHEMBL503620 | 0.84 | CES1 (0.46) | CES1HSD11B1CYP2D6NPC1RAB9A | |
| Methoxymethane SCHEMBL36098 | 0.80 | CES1 (0.56) | SMN1; SMN2TSHRCES1CYP2C19POLB | |
| SCHEMBL4925970 | 0.80 | ALDH1A1 (0.41) | SMN1; SMN2TSHRCES1POLBCYP2D6 | |
| SCHEMBL452944 | 0.79 | HSD11B1 (0.40) | CES1HSD11B1POLBALDH1A1RAB9A | |
| Trifluoromethylbenzene SCHEMBL28170271 | 0.79 | CES1 (0.50) | TSHRCES1HSD11B1NPC1ALDH1A1 | |
| SCHEMBL8768398 | 0.78 | CES1 (0.41) | CES1MAPTNPC1RAB9ASRC | |
| SCHEMBL21874985 | 0.77 | CES1 (0.39) | CES1HSD11B1MAPTKAT6A |
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-1696828-B | Chemically amplified positive resist composition, a haloester derivative and a process for producing the same | SUMITOMO CHEMICAL CO | 2010-09-01 | — | — | CN | disclosed |
| CN-1696828-A | Chemically amplified positive resist composition, a haloester derivative and a process for producing the same | SUMITOMO CHEMICAL CO (JP) | 2005-11-16 | — | — | CN | disclosed |