Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 6/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5139711 | 0.88 | PKM (0.42) | ALDH1A1KDM4EGLAGAAMAPT | |
| Trifluoromethanesulfonic Acid SCHEMBL3522448 | 0.86 | PKM (0.43) | ALDH1A1KDM4EGLAGAAMAPT | |
| SCHEMBL3519395 | 0.85 | KDM4E (0.48) | ALDH1A1KDM4EGLAGAAMAPT | |
| SCHEMBL3522302 | 0.83 | PGR (0.43) | ALDH1A1KDM4EGLAGAAMAPT | |
| SCHEMBL3524255 | 0.81 | PKM (0.37) | ALDH1A1KDM4EGLAGAAMAPT | |
| SCHEMBL3523369 | 0.79 | CA12 (0.49) | ALDH1A1KDM4EGLAGAAMAPT | |
| SCHEMBL3517596 | 0.79 | CYP2A6 (0.38) | ALDH1A1KDM4EGLAGAAMAPT | |
| SCHEMBL3518008 | 0.77 | MAOB (0.51) | ALDH1A1KDM4EGLAGAAMAPT | |
| SCHEMBL4861374 | 0.76 | RAPGEF4 (0.40) | ALDH1A1KDM4EGAAMAPTCA12 | |
| SCHEMBL3370844 | 0.74 | CA12 (0.45) | ALDH1A1KDM4EGLAGAAMAPT |
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 6 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 |
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 | ALDH1A1 1190/4885KDM4E 2670/4885GLA 884/4885 |
| US-20080161520-A1 | Heterocycle-bearing onium salts | MCM5, NIT2, PCNA | ALDH1A1 2676/4885KDM4E 2415/4885GLA 2301/4885 |
“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.