Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 2)
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL9422353 | 0.91 | — | — | |
| Benzene SCHEMBL27588414 | 0.83 | TP53 (0.50) | TP53TSHR | |
| Benzene SCHEMBL21750611 | 0.83 | TP53 (0.50) | TP53TSHR | |
| Benzene SCHEMBL27491902 | 0.83 | — | — | |
| Benzene SCHEMBL27627628 | 0.83 | — | — | |
| Benzene SCHEMBL14717513 | 0.82 | TSHR (0.75) | TP53TSHR | |
| Benzene SCHEMBL891552 | 0.82 | — | — | |
| Benzene SCHEMBL5317629 | 0.82 | TSHR (0.75) | TP53TSHR | |
| Benzene SCHEMBL28488648 | 0.82 | — | — | |
| Benzene SCHEMBL4344056 | 0.82 | — | — |
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-109718851-A | A kind of hand quaternary phosphine phase transfer catalyst and its preparation method and application | 四川六泰科技有限公司 | 2019-05-07 | — | — | CN | disclosed |