Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 SCHEMBL27633722 | 0.93 | TP53 (0.78) | TP53ALDH1A1GABRA1GABRB2PPARG | |
| Ethylbenzene SCHEMBL11185461 | 0.93 | TP53 (0.78) | TP53ALDH1A1GABRA1GABRB2PPARG | |
| Ethylbenzene SCHEMBL3227891 | 0.93 | TP53 (0.78) | TP53ALDH1A1GABRA1GABRB2PPARG | |
| Ethylbenzene SCHEMBL25402571 | 0.90 | TP53 (0.74) | TP53ALDH1A1GABRA1GABRB2PPARG | |
| Ethylbenzene SCHEMBL2713289 | 0.90 | TP53 (0.82) | TP53ALDH1A1TSHRPPARGPPARA | |
| SCHEMBL25425761 | 0.85 | TP53 (0.63) | TP53ALDH1A1GABRA1GABRB2RAB9A | |
| Hydrogen Peroxide SCHEMBL11205186 | 0.84 | GABRA1 (0.60) | TP53ALDH1A1GABRA1GABRB2TSHR | |
| Ethylbenzene SCHEMBL9474534 | 0.84 | TP53 (0.93) | TP53ALDH1A1TSHRPPARGPPARA | |
| Ethylbenzene SCHEMBL28056495 | 0.84 | TP53 (0.93) | TP53ALDH1A1TSHRPPARGPPARA | |
| Hydrogen Peroxide SCHEMBL10890655 | 0.84 | GABRA1 (0.60) | TP53ALDH1A1GABRA1GABRB2TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7323020-B2 | Method for making a fuel for a modified spark ignition combustion engine, a fuel for a modified spark ignition combustion engine and a fuel additive for a conventional spark ignition combustion engine | HULL ANGELICA | 2008-01-29 | — | — | US | disclosed |
| US-6761745-B2 | MIXING COSOLVENTS SELECTED FROM ETHERS, KETONES, ESTERS AND/OR MIXTURES, WITH GASOHOL; FUEL ADDITIVES; POLLUTION CONTROL | HULL ANGELICA (SE) | 2004-07-13 | — | — | US | disclosed |
| US-20040123516-A1 | Method for making a fuel for a modified spark ignition combustion engine, a fuel for a modified spark ignition combustion engine and a fuel additive for a conventional spark ignition combustion engine | HULL ANGELICA (SE) | 2004-07-01 | — | — | US | disclosed |
| US-20030154649-A1 | Method of reducing the vapor pressure of ethanol-containing motor fuels for spark ignition combustion engines | HULL ANGELICA (SE) | 2003-08-21 | — | — | US | disclosed |
| US-20010034966-A1 | Method of reducing the vapor pressure of ethanol-containing motor fuels for spark ignition combustion engines | GOLUBKOV ANGELICA (SE) | 2001-11-01 | — | — | US | disclosed |