Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzaldehyde. 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 | |
|---|---|---|---|---|
| ▸ | ALDH5A1 known ✓ | P51649 | 1/20 | 0.38 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.35 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | UNG | P13051 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL9452552 | 0.96 | ALDH1A1 (0.64) | ALDH1A1CYP2A6KMT2AUNGALDH5A1 | |
| Benzaldehyde SCHEMBL29105107 | 0.96 | ALDH1A1 (0.64) | ALDH1A1CYP2A6KMT2AUNGALDH5A1 | |
| Benzaldehyde SCHEMBL8673114 | 0.89 | ALDH1A1 (0.67) | ALDH1A1CYP2A6KMT2AUNGALDH5A1 | |
| Benzaldehyde SCHEMBL28126383 | 0.87 | ALDH1A1 (0.70) | ALDH1A1CYP2A6KMT2AUNGALDH5A1 | |
| Benzaldehyde SCHEMBL9012456 | 0.84 | ALDH1A1 (0.74) | ALDH1A1CYP2A6KMT2AUNGALDH5A1 | |
| Benzaldehyde SCHEMBL11259347 | 0.82 | ALDH1A1 (0.70) | ALDH1A1CYP2A6KMT2AUNGALDH5A1 | |
| Benzaldehyde SCHEMBL28115640 | 0.82 | ALDH1A1 (0.88) | ALDH1A1CYP2A6KMT2AUNGALDH5A1 | |
| Benzaldehyde SCHEMBL1607821 | 0.82 | ALDH1A1 (0.88) | ALDH1A1CYP2A6KMT2AUNGALDH5A1 | |
| Benzaldehyde SCHEMBL22163852 | 0.80 | ALDH1A1 (0.67) | ALDH1A1CYP2A6KMT2AUNGALDH5A1 | |
| Benzaldehyde SCHEMBL8675442 | 0.79 | ALDH1A1 (0.82) | ALDH1A1CYP2A6KMT2AUNGALDH5A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995022899-A1 | SULFUR AND OXYGEN DEODORANT COMPOSITIONS | COX JAMES P (US) | 1995-08-31 | — | — | WO | disclosed |