Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Sulfurous Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.34 |
| ▸ | EDNRB known ✓ | P24530 | 1/20 | 0.34 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MC3R | P41968 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL548634 | 0.82 | CYP2D6 (0.48) | CYP2D6SRCLMNAMAPK1KMT2A | |
| SCHEMBL5243253 | 0.80 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1KMT2A | |
| Benzaldehyde SCHEMBL9452552 | 0.72 | ALDH1A1 (0.64) | CYP2D6LMNAMAPK1KMT2AKDM4E | |
| Benzaldehyde SCHEMBL29105107 | 0.72 | ALDH1A1 (0.64) | CYP2D6LMNAMAPK1KMT2AKDM4E | |
| SCHEMBL2554928 | 0.70 | ACP3 (0.47) | MAPK1 | |
| SCHEMBL1335929 | 0.70 | CYP2D6 (0.41) | CYP2D6SRCLMNAMAPK1KMT2A | |
| SCHEMBL11470444 | 0.70 | CYP2D6 (0.41) | CYP2D6SRCLMNAMAPK1KMT2A | |
| SCHEMBL3278200 | 0.69 | CYP2D6 (0.41) | CYP2D6SRCLMNAMAPK1KMT2A | |
| Benzaldehyde SCHEMBL9258080 | 0.69 | ALDH1A1 (0.58) | CYP2D6LMNAMAPK1KMT2AKDM4E | |
| Pimagedine SCHEMBL27745105 | 0.69 | CTSD (0.44) | CYP2D6LMNAKMT2AKDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101417937-A | Beta-aldehyde ketones antibacterial compounds and use thereof | UNIV ZHONGSHAN (CN) | 2009-04-29 | — | — | CN | claimed |
| CN-101417937-B | Beta-aldehyde ketones antibacterial compounds and use thereof | UNIV SUN YAT SEN | 2013-05-29 | — | — | CN | disclosed |
| CN-101417937-A | Beta-aldehyde ketones antibacterial compounds and use thereof | UNIV ZHONGSHAN (CN) | 2009-04-29 | — | — | CN | disclosed |