Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 3/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6226409 | 0.89 | NPC1 (0.47) | CA1CA2CA9CA5AF2 | |
| SCHEMBL6228820 | 0.81 | CA1 (0.59) | CA1CA2CA9CA5AF2 | |
| SCHEMBL10762540 | 0.80 | CA1 (0.37) | CA1CA2CA9CA5AF2 | |
| SCHEMBL30806173 | 0.78 | TSHR (0.56) | CA1CA2CA9CA5ANPC1 | |
| SCHEMBL9188413 | 0.78 | TSHR (0.56) | CA1CA2CA9CA5ANPC1 | |
| SCHEMBL9138762 | 0.76 | NPC1 (0.43) | CA1CA2CA9CA5AF2 | |
| SCHEMBL11111735 | 0.76 | ALDH1A1 (0.58) | CA1CA2CA9CA5ALMNA | |
| SCHEMBL10507953 | 0.76 | ALDH1A1 (0.40) | CA1CA2CA9CA5AF2 | |
| SCHEMBL11724701 | 0.75 | TSHR (0.52) | CA1CA2CA9NPC1LMNA | |
| SCHEMBL9524237 | 0.75 | F2 (0.60) | CA1CA2CA9F2PRSS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0034431-A2 | 2-Isocyanatosulfonylbenzoic acid esters and preparation thereof | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-08-26 | — | — | EP | disclosed |