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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL8528213 | 0.98 | LMNA (0.31) | LMNAHIF1A | |
| Cyclohexane SCHEMBL8531886 | 0.95 | — | — | |
| Oxirane SCHEMBL8528331 | 0.93 | — | — | |
| Propene SCHEMBL8533194 | 0.92 | MEN1 (0.34) | — | |
| Iodide SCHEMBL8529405 | 0.91 | — | — | |
| Iodide SCHEMBL8038402 | 0.91 | ADORA1 (0.31) | — | |
| Iodide SCHEMBL8532160 | 0.89 | — | — | |
| Iodide SCHEMBL8038352 | 0.88 | — | — | |
| Iodide SCHEMBL8531448 | 0.88 | — | — | |
| Iodide SCHEMBL8528374 | 0.86 | HIF1A (0.33) | HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |