Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Benzo[C][1,2,5]Oxadiazole 1-Oxide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Benzo[C][1,2,5]Oxadiazole 1-Oxide SCHEMBL8492 | 0.98 | CA12 (0.49) | CA12CA2CA9GRIA2AHR | |
| Benzo[C][1,2,5]Oxadiazole 1-Oxide SCHEMBL7574801 | 0.96 | CA12 (0.47) | CA12CA2CA9GRIA2AHR | |
| SCHEMBL13323566 | 0.71 | MAPT (0.32) | CA12CA2CA9MAPT | |
| SCHEMBL27012323 | 0.71 | MAPT (0.32) | MEN1MAPTKMT2A | |
| SCHEMBL11017668 | 0.70 | CA12 (0.51) | CA12CA2CA9AHRHTT | |
| SCHEMBL11743516 | 0.70 | CA12 (0.51) | CA12CA2CA9GRIA2AHR | |
| 6-Methylbenzo[C][1,2,5]Oxadiazole1-Oxide SCHEMBL6199005 | 0.69 | NPSR1 (0.47) | CA12CA2CA9GRIA2AHR | |
| SCHEMBL4894972 | 0.69 | CA12 (0.56) | CA12CA2CA9GRIA2MEN1 | |
| SCHEMBL17132624 | 0.69 | GRIA2 (0.45) | CA12CA2CA9GRIA2AHR | |
| SCHEMBL7752547 | 0.69 | CA12 (0.56) | CA12CA2CA9GRIA2PKM |
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 |
|---|---|---|---|---|---|---|---|
| US-20020143189-A1 | Potassium dinitro benzofuroxane and method of making same | SONTI CHIRANJEEVIRAO (US) | 2002-10-03 | — | — | US | claimed |