Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | VDR | P11473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL30626118 | 0.95 | TP53 (0.67) | TP53CA2TAS2R14PSIP1ALDH1A1 | |
| Ethylbenzene SCHEMBL10441194 | 0.95 | TP53 (0.67) | TP53CA2TAS2R14PSIP1ALDH1A1 | |
| Ethylbenzene SCHEMBL1061731 | 0.95 | TP53 (0.67) | TP53CA2TAS2R14PSIP1ALDH1A1 | |
| Ethylbenzene SCHEMBL6362282 | 0.83 | TP53 (0.70) | TP53CA2TAS2R14PSIP1ALDH1A1 | |
| Ethylbenzene SCHEMBL28675405 | 0.83 | TP53 (0.70) | TP53CA2TAS2R14PSIP1FAAH | |
| Ethylbenzene SCHEMBL1818291 | 0.83 | TP53 (0.70) | TP53CA2TAS2R14PSIP1ALDH1A1 | |
| Ethylbenzene SCHEMBL10386570 | 0.83 | TP53 (0.70) | TP53CA2TAS2R14PSIP1ALDH1A1 | |
| Ethylbenzene SCHEMBL7458207 | 0.82 | TP53 (1.00) | TP53ALDH1A1MAPTKDM4ERAB9A | |
| Ethylbenzene SCHEMBL11223212 | 0.82 | TP53 (1.00) | TP53ALDH1A1MAPTKDM4ERAB9A | |
| Ethylbenzene SCHEMBL3987542 | 0.82 | TP53 (1.00) | TP53ALDH1A1MAPTKDM4ERAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114949001-A | Diagnosis and treatment of autism spectrum disorders | 加州理工学院 | 2022-08-30 | — | — | CN | disclosed |
| CN-104768560-A | Diagnosis and treatment of autism spectrum disorders | CALIFORNIA INST OF TECHN | 2015-07-08 | — | — | CN | disclosed |