Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 11/20 | 0.53 |
| ▸ | CA12 | O43570 | 8/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.53 |
| ▸ | GLA | P06280 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 2/20 | 0.50 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6880932 | 0.88 | CA12 (0.57) | CA9CA12KDM4EGAAGLA | |
| Hydrochloric Acid SCHEMBL3368089 | 0.86 | CA12 (0.55) | CA9CA12KDM4EGAAGLA | |
| Bromide SCHEMBL3367230 | 0.86 | CA12 (0.55) | CA9CA12KDM4EGAAGLA | |
| Perchlorate SCHEMBL3367766 | 0.85 | CA12 (0.50) | CA9CA12KDM4EGAAGLA | |
| Acetic Acid SCHEMBL3367491 | 0.84 | NPC1 (0.50) | CA9CA12KDM4EGAAGLA | |
| SCHEMBL3368470 | 0.81 | KDM4E (0.51) | CA9CA12KDM4EGAAGLA | |
| SCHEMBL3367831 | 0.79 | KDM4E (0.39) | CA9CA12KDM4EGAAGLA | |
| SCHEMBL3370905 | 0.79 | KDM4E (0.39) | CA9CA12KDM4EGAAGLA | |
| SCHEMBL3367709 | 0.79 | CA9 (0.39) | CA9CA12KDM4EGAAGLA | |
| Trifluoromethanesulfonic Acid SCHEMBL3367262 | 0.77 | CA12 (0.42) | CA9CA12KDM4EGAAGLA |
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-1953149-B1 | A heterocycle-containing onium salt | WAKO PURE CHEM IND LTD (JP) | 2010-10-06 | — | — | 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 | CA9 704/4885CA12 3023/4885KDM4E 2670/4885 |
| US-20080161520-A1 | Heterocycle-bearing onium salts | MCM5, NIT2, PCNA | CA9 1184/4885CA12 2139/4885KDM4E 2415/4885 |
“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.