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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | BCAT1 | P54687 | 3/20 | 0.36 |
| ▸ | MMP12 | P39900 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3523833 | 0.93 | BCAT1 (0.40) | SMN1; SMN2BCAT1MMP12MMP13KEAP1 | |
| SCHEMBL3520234 | 0.90 | BCAT1 (0.42) | SMN1; SMN2BCAT1MMP12MMP13LMNA | |
| SCHEMBL5125869 | 0.88 | NPC1 (0.39) | SMN1; SMN2LMNAL3MBTL1ALDH1A1MAPT | |
| Trifluoromethanesulfonic Acid SCHEMBL3521317 | 0.88 | SMN1; SMN2 (0.34) | SMN1; SMN2BCAT1MMP12MMP13KEAP1 | |
| Bromide SCHEMBL3519084 | 0.87 | NPC1 (0.38) | SMN1; SMN2LMNAL3MBTL1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL3525780 | 0.87 | NPC1 (0.38) | SMN1; SMN2LMNAL3MBTL1ALDH1A1MAPT | |
| SCHEMBL3520322 | 0.86 | TTR (0.47) | SMN1; SMN2L3MBTL1ALDH1A1MAPTHPGD | |
| Perchlorate SCHEMBL3519047 | 0.85 | MAPT (0.35) | SMN1; SMN2LMNAL3MBTL1ALDH1A1MAPT | |
| Acetic Acid SCHEMBL3518350 | 0.85 | NPC1 (0.41) | MMP12MMP13LMNAL3MBTL1TSHR | |
| SCHEMBL3522256 | 0.83 | NPC1 (0.33) | SMN1; SMN2L3MBTL1ALDH1A1MAPTHPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7833691-B2 | Heterocycle-bearing onium salts | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| EP-1481973-B1 | HETEROCYCLE-BEARING ONIUM SALTS | WAKO PURE CHEM IND LTD (JP) | 2008-12-31 | — | — | EP | disclosed |
| EP-1953149-A2 | A heterocycle-containing onium salt | Wako Pure Chemical Industries, Ltd. (JP) | 2008-08-06 | — | — | EP | disclosed |
| US-20080161520-A1 | Heterocycle-bearing onium salts | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2008-07-03 | — | — | US | disclosed |
| US-7318991-B2 | Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2008-01-15 | — | — | US | disclosed |
| US-20050233253-A1 | Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether | WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) | 2005-10-20 | — | — | US | disclosed |
| EP-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050233253-A1 | Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether | NOX4, CBR1, CBR3 | SMN1; SMN2 4320/4885BCAT1 1269/4885MMP12 4604/4885 |
| US-20080161520-A1 | Heterocycle-bearing onium salts | MCM5, NIT2, PCNA | SMN1; SMN2 3528/4885BCAT1 353/4885MMP12 4717/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.