Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Benzene. 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 | |
|---|---|---|---|---|
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.32 |
| ▸ | GABRR2 | P28476 | 3/20 | 0.32 |
| ▸ | BLM | P54132 | 3/20 | 0.32 |
| ▸ | GABRR3 | A8MPY1 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL4164753 | 0.89 | — | — | |
| Ethylenediamine SCHEMBL30208060 | 0.89 | TSHR (0.36) | GLRA1SLC6A9OR51E2GABRR1GABRR2 | |
| Ethylenediamine SCHEMBL6701759 | 0.89 | TSHR (0.36) | GLRA1SLC6A9OR51E2GABRR1GABRR2 | |
| Benzene SCHEMBL28114890 | 0.87 | ALDH1A1 (0.50) | GLRA1SLC6A9OR51E2TSHR | |
| Benzene SCHEMBL30314930 | 0.80 | ALDH1A1 (0.35) | TSHRCYP2A6TDP1CYP2D6 | |
| Benzene SCHEMBL27466978 | 0.80 | ALDH1A1 (0.35) | TSHRCYP2A6TDP1CYP2D6 | |
| Benzene SCHEMBL27723606 | 0.80 | ALDH1A1 (0.35) | TSHRCYP2A6TDP1CYP2D6 | |
| Benzene SCHEMBL2295857 | 0.80 | — | — | |
| Acetic Acid SCHEMBL27845655 | 0.80 | FFAR3 (0.44) | GLRA1SLC6A9OR51E2GABRR1GABRR2 | |
| Beta-Alanine SCHEMBL31557849 | 0.78 | — | — |
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-109975903-A | A kind of reflectance coating and a kind of back light for liquid crystal display device | 宁波长阳科技股份有限公司 | 2019-07-05 | — | — | CN | disclosed |