Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Ethylbenzene. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL812668 | 0.84 | HTR2A (0.40) | TP53SIGMAR1HTR6HTR2AKDM4E | |
| Hydrochloric Acid SCHEMBL6908577 | 0.82 | HTR2A (0.39) | TP53SIGMAR1HTR6HTR2AKDM4E | |
| Fluoride Ion SCHEMBL5183634 | 0.80 | HTR2A (0.40) | TP53SIGMAR1HTR6HTR2AKDM4E | |
| Bromide SCHEMBL6440191 | 0.80 | HTR2A (0.45) | TP53SIGMAR1HTR6HTR2AKDM4E | |
| SCHEMBL7107703 | 0.78 | HTR2A (0.36) | TP53SIGMAR1HTR6HTR2AKDM4E | |
| Hydrochloric Acid SCHEMBL6559467 | 0.78 | HTR2A (0.38) | TP53SIGMAR1HTR6HTR2AKDM4E | |
| Ethylbenzene SCHEMBL6930964 | 0.77 | TP53 (0.47) | TP53SIGMAR1HTR6HTR2AKDM4E | |
| Hydrochloric Acid SCHEMBL6897360 | 0.76 | HTR6 (0.33) | SIGMAR1HTR6HTR2A | |
| Phenol SCHEMBL4827336 | 0.75 | HTR6 (0.38) | SIGMAR1HTR6HTR2A | |
| Hydrochloric Acid SCHEMBL182284 | 0.73 | SIGMAR1 (0.32) | SIGMAR1HTR6HTR2ARET |
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 |
|---|---|---|---|---|---|---|---|
| US-20030036472-A1 | Polyolefin production | RAZAVI ABBAS (BE) | 2003-02-20 | — | — | US | claimed |