Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28065596 | 0.93 | CYP2A6 (0.57) | SMN1; SMN2CYP2A6TSHRALDH1A1CYP2D6 | |
| Benzaldehyde SCHEMBL29098206 | 0.87 | TSHR (0.70) | SMN1; SMN2CYP2A6TSHRALDH1A1CYP2D6 | |
| Benzaldehyde SCHEMBL28682150 | 0.85 | TSHR (0.67) | SMN1; SMN2CYP2A6TSHRALDH1A1CYP2D6 | |
| SCHEMBL932442 | 0.85 | SMN1; SMN2 (0.73) | SMN1; SMN2TSHRALDH1A1CYP2D6MAPK1 | |
| Toluene SCHEMBL180606 | 0.85 | SMN1; SMN2 (0.65) | SMN1; SMN2TSHRALDH1A1CYP2D6MAPK1 | |
| SCHEMBL13836876 | 0.85 | SMN1; SMN2 (0.73) | SMN1; SMN2TSHRALDH1A1CYP2D6MAPK1 | |
| Benzene SCHEMBL5085625 | 0.84 | SMN1; SMN2 (0.64) | SMN1; SMN2TSHRALDH1A1CYP2D6MAPK1 | |
| Styrene SCHEMBL3134772 | 0.84 | TDP1 (0.67) | SMN1; SMN2TSHRALDH1A1CYP2D6MAPK1 | |
| 4-Formylpyridine SCHEMBL28168365 | 0.83 | LMNA (0.49) | SMN1; SMN2CYP2A6ALDH1A1CYP2D6MAPK1 | |
| Water SCHEMBL14660542 | 0.83 | SMN1; SMN2 (0.70) | SMN1; SMN2TSHRALDH1A1CYP2D6MAPK1 |
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-103303896-B | Hard carbon cathode material of a kind of surface modification and preparation method thereof | SHANSHAN SCIENCE AND TECHNOLOGY CO., LTD., SHANGHAI (CN) | 2016-05-18 | — | — | CN | disclosed |