Known targets — ChEMBL curated mechanism
ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4
The experimentally established mechanism targets of Benzenesulfonamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 14/20 | 0.70 |
| ▸ | CA2 | P00918 | 14/20 | 0.70 |
| ▸ | CA12 | O43570 | 9/20 | 0.70 |
| ▸ | CA9 | Q16790 | 9/20 | 0.70 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.70 |
| ▸ | CA4 | P22748 | 2/20 | 0.70 |
| ▸ | CA3 | P07451 | 2/20 | 0.70 |
| ▸ | CA6 | P23280 | 2/20 | 0.70 |
| ▸ | CA5A | P35218 | 2/20 | 0.70 |
| ▸ | CA7 | P43166 | 2/20 | 0.70 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.70 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.70 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Benzenesulfonamide SCHEMBL9491339 | 0.86 | CA2 (0.84) | CA1CA2CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL27896159 | 0.84 | CA2 (0.80) | CA1CA2CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL3971272 | 0.84 | CA2 (0.80) | CA1CA2CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL19348104 | 0.84 | CA2 (0.80) | CA1CA2CA12CA9CA14 | |
| Phenylbutanoic Acid SCHEMBL8707510 | 0.84 | HDAC3 (0.70) | CA1CA2CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL9476757 | 0.84 | CA2 (0.57) | CA1CA2CA12CA9CA14 | |
| SCHEMBL19479299 | 0.83 | CA2 (1.00) | CA1CA2CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL729 | 0.83 | CA2 (1.00) | CA1CA2CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL1332409 | 0.83 | CA2 (1.00) | CA1CA2CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL29825137 | 0.83 | CA2 (1.00) | CA1CA2CA12CA9CA14 |
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-103709096-B | Urea type derivative used as nicotinamide ribose phosphate transferase inhibitor, as well as preparation method and application thereof | 中国人民解放军第二军医大学 | 2017-01-18 | — | — | CN | disclosed |