Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 18/20 | 1.00 |
| ▸ | CA1 | P00915 | 16/20 | 1.00 |
| ▸ | CA12 | O43570 | 15/20 | 1.00 |
| ▸ | CA9 | Q16790 | 15/20 | 1.00 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 1.00 |
| ▸ | CA6 | P23280 | 5/20 | 1.00 |
| ▸ | CA5A | P35218 | 5/20 | 1.00 |
| ▸ | CA7 | P43166 | 5/20 | 1.00 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 1.00 |
| ▸ | CA4 | P22748 | 4/20 | 1.00 |
| ▸ | CA3 | P07451 | 4/20 | 1.00 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 1.00 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 1.00 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.62 |
| ▸ | HTR6 | P50406 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | AGO2 | Q9UKV8 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL19479299 | 1.00 | CA2 (1.00) | CA2CA1CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL28257999 | 1.00 | CA2 (1.00) | CA2CA1CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL729 | 1.00 | CA2 (1.00) | CA2CA1CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL6868390 | 1.00 | CA2 (1.00) | CA2CA1CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL29825137 | 1.00 | CA2 (1.00) | CA2CA1CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL1009443 | 0.97 | CA2 (0.94) | CA2CA1CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL861258 | 0.97 | CA2 (0.94) | CA2CA1CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL7517039 | 0.97 | CA2 (0.94) | CA2CA1CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL11798700 | 0.97 | CA2 (0.94) | CA2CA1CA12CA9CA14 | |
| Benzenesulfonamide SCHEMBL3100364 | 0.97 | CA2 (0.94) | CA2CA1CA12CA9CA14 |
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-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |