Known targets — ChEMBL curated mechanism
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.36 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10594922 | 0.88 | PTGS2 (0.42) | ACHELMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL4368552 | 0.84 | ELANE (0.38) | BCHEACHELMNACHRM2CHRM4 | |
| SCHEMBL9853827 | 0.79 | KDM4E (0.31) | LMNAKDM4EHPGDHSD17B10TDP1 | |
| SCHEMBL10434904 | 0.76 | HSD11B1 (0.36) | BCHEACHELMNAKDM4EHPGD | |
| SCHEMBL10434603 | 0.75 | TDP1 (0.36) | BCHEACHELMNAKDM4EHPGD | |
| SCHEMBL10434602 | 0.75 | HSD17B10 (0.43) | BCHEACHELMNAKDM4EHPGD | |
| SCHEMBL4635239 | 0.71 | HTR1A (0.38) | BCHEACHELMNAKDM4EHPGD | |
| Trifluoromethanesulfonic Acid SCHEMBL8429688 | 0.70 | ELANE (0.35) | ACHEKDM4EHPGDHSD17B10TDP1 | |
| SCHEMBL9543319 | 0.68 | THRB (0.49) | KDM4EHPGDHSD17B10TDP1ATM | |
| Methacrylic Acid SCHEMBL4351173 | 0.68 | BCHE (0.34) | BCHEACHELMNAKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0406567-A2 | Process for the production of sulfonium compounds and novel methylthiophenol derivatives | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1991-01-09 | — | — | EP | disclosed |
| EP-0401696-A2 | Process for production of sulfonium compounds and novel methylthiophenyl derivatives | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1990-12-12 | — | — | EP | disclosed |
| EP-0346756-A1 | Process for production of sulfonium compounds | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1989-12-20 | — | — | EP | disclosed |