Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 14/20 | 0.67 |
| ▸ | CA2 | P00918 | 14/20 | 0.67 |
| ▸ | CA9 | Q16790 | 9/20 | 0.67 |
| ▸ | CA12 | O43570 | 8/20 | 0.67 |
| ▸ | CA3 | P07451 | 1/20 | 0.67 |
| ▸ | CA4 | P22748 | 1/20 | 0.67 |
| ▸ | CA6 | P23280 | 1/20 | 0.67 |
| ▸ | CA5A | P35218 | 1/20 | 0.67 |
| ▸ | CA7 | P43166 | 1/20 | 0.67 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.67 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
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 SCHEMBL29251509 | 0.98 | CA1 (0.64) | CA1CA2CA9CA12CA3 | |
| Benzenesulfonamide SCHEMBL28328143 | 0.94 | CA1 (0.59) | CA1CA2CA9CA12CA3 | |
| SCHEMBL28475473 | 0.89 | CA2 (0.55) | CA1CA2CA9CA12CA3 | |
| SCHEMBL56650 | 0.89 | CA1 (0.58) | CA1CA2CA9CA12CA3 | |
| Hydrochloric Acid SCHEMBL21326160 | 0.87 | CA1 (0.56) | CA1CA2ALDH1A1MMP1MMP2 | |
| Benzenesulfonamide SCHEMBL1332409 | 0.82 | CA2 (1.00) | CA1CA2CA9CA12CA3 | |
| Benzenesulfonamide SCHEMBL729 | 0.82 | CA2 (1.00) | CA1CA2CA9CA12CA3 | |
| SCHEMBL19479299 | 0.82 | CA2 (1.00) | CA1CA2CA9CA12CA3 | |
| Benzenesulfonamide SCHEMBL29825137 | 0.82 | CA2 (1.00) | CA1CA2CA9CA12CA3 | |
| Benzenesulfonamide SCHEMBL6868390 | 0.82 | CA2 (1.00) | CA1CA2CA9CA12CA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116554170-A | Preparation method of 4-fluoro-7-azaindole | 上海大学 | 2023-08-08 | — | — | CN | claimed |
| CN-116554170-A | Preparation method of 4-fluoro-7-azaindole | 上海大学 | 2023-08-08 | — | — | CN | disclosed |