Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.88 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 SCHEMBL355150 | 0.97 | — | — | |
| Ethylbenzene SCHEMBL2403353 | 0.97 | TP53 (0.93) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL927613 | 0.97 | — | — | |
| Ethylbenzene SCHEMBL5179440 | 0.97 | TP53 (0.93) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL9860330 | 0.97 | TP53 (0.93) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL9860324 | 0.97 | TP53 (0.93) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL11896402 | 0.97 | TP53 (0.93) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL246705 | 0.94 | TP53 (0.88) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL14060475 | 0.94 | TP53 (0.88) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL9403136 | 0.94 | TP53 (0.88) | TP53KDM4ECYP3A4MAPTCALM1 |
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-107693781-B | Chimeric cytokine formulations for ocular delivery | 巴扎德制药公司 | 2021-11-09 | — | — | CN | disclosed |