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 | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.41 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.39 |
| ▸ | ALDH5A1 known ✓ | P51649 | 1/20 | 0.39 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | UNG | P13051 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
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 SCHEMBL29105107 | 0.91 | ALDH1A1 (0.64) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL9452552 | 0.91 | ALDH1A1 (0.64) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL9258080 | 0.87 | ALDH1A1 (0.58) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL27854890 | 0.84 | ALDH1A1 (0.78) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL27511498 | 0.84 | ALDH1A1 (0.88) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL27335073 | 0.84 | ALDH1A1 (0.88) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL27460636 | 0.84 | ALDH1A1 (0.88) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL11525653 | 0.84 | ALDH1A1 (0.88) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL9236967 | 0.84 | — | — | |
| Benzaldehyde SCHEMBL573 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104628567-B | A kind of preparation method of benzoyl formic acid esters initiator | 天津墨森科技有限公司 | 2017-03-15 | — | — | CN | disclosed |