Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL1563628 | 0.95 | CA2 (0.36) | CA2CA9CA12CA1CA7 | |
| Potassium Ion SCHEMBL912084 | 0.93 | — | — | |
| Water SCHEMBL6532593 | 0.91 | CA2 (0.34) | CA2CA9CA12CA1CA7 | |
| Lithium Ion SCHEMBL2540922 | 0.88 | — | — | |
| SCHEMBL9056640 | 0.88 | CA2 (0.35) | CA2CA9CA12CA1CA7 | |
| Silver SCHEMBL900458 | 0.88 | — | — | |
| Zinc Ion SCHEMBL9055657 | 0.88 | CA2 (0.35) | CA2CA9CA12CA1CA7 | |
| SCHEMBL2546488 | 0.88 | — | — | |
| SCHEMBL10754911 | 0.88 | CA2 (0.35) | CA2CA9CA12CA1CA7 | |
| SCHEMBL9055925 | 0.88 | CA2 (0.35) | CA2CA9CA12CA1CA7 |
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 |
|---|---|---|---|---|---|---|---|
| JP-5003032-A | — | — | None | — | — | JP | disclosed |
| JP-H053032-A | ALKALINE STORAGE BATTERY | TOSHIBA BATTERY CO LTD | 1993-01-08 | — | — | JP | disclosed |