Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.44 |
| ▸ | CA1 | P00915 | 6/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA6 | P23280 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10790348 | 0.82 | CA2 (0.39) | CA2CA1CA9CA4CA6 | |
| SCHEMBL5784432 | 0.82 | CA1 (0.44) | CA2CA1CA9CA4CA6 | |
| SCHEMBL43258 | 0.78 | — | — | |
| SCHEMBL1558300 | 0.77 | CA2 (0.58) | CA2CA1CA9CA7 | |
| Iodide SCHEMBL28619013 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL8888870 | 0.75 | — | — | |
| SCHEMBL8083316 | 0.75 | — | — | |
| Bromide SCHEMBL30609919 | 0.75 | — | — | |
| SCHEMBL2129023 | 0.75 | — | — | |
| SCHEMBL8340714 | 0.75 | — | — |
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-105392787-B | For treating and preventing the azepine oxindole of respiratory syncytial virus infection | 豪夫迈·罗氏有限公司 | 2017-11-24 | — | — | CN | disclosed |
| US-5159112-A | Process of the production of alkanesulfonamides | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1992-10-27 | — | — | US | disclosed |