Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.42 |
| ▸ | C1R | P00736 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 2/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3703471 | 0.78 | CA1 (0.53) | CA1CA2CA9KEAP1NFE2L2 | |
| SCHEMBL28102693 | 0.78 | KDM4E (0.46) | CA9HTR2AHTR2CKDM4ETSHR | |
| SCHEMBL11505084 | 0.74 | KDM4E (0.57) | CA9KDM4EHTR6KMT2AALDH1A1 | |
| SCHEMBL3245602 | 0.72 | CA1 (0.59) | CA1CA2CA9KEAP1NFE2L2 | |
| SCHEMBL18537467 | 0.71 | CA1 (0.57) | CA1CA2CA9KEAP1NFE2L2 | |
| SCHEMBL22182916 | 0.71 | CA1 (0.57) | CA1CA2CA9KEAP1NFE2L2 | |
| SCHEMBL3248145 | 0.71 | CA1 (0.57) | CA1CA2CA9KEAP1NFE2L2 | |
| Hydrochloric Acid SCHEMBL28348315 | 0.69 | HTR2A (0.55) | CA1CA2CA9KEAP1NFE2L2 | |
| SCHEMBL11000088 | 0.69 | CA1 (0.55) | CA1CA2CA9KEAP1NFE2L2 | |
| SCHEMBL2371944 | 0.68 | HTR2A (0.57) | CA1CA2CA9KEAP1NFE2L2 |
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-109206372-B | New application of N-cyano-N-phenyl aryl sulfonamide and method for N-aryl sulfonylation of 2-substituted benzimidazole | 长沙理工大学 | 2021-07-27 | — | — | CN | disclosed |