Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26864 | 0.96 | — | — | |
| Ethane SCHEMBL4974014 | 0.92 | CA1 (0.44) | CA1CA2CA7CA4CA6 | |
| Hydrochloric Acid SCHEMBL10876127 | 0.92 | — | — | |
| SCHEMBL30656011 | 0.92 | CA1 (0.44) | CA1CA2CA7CA4CA6 | |
| Methane SCHEMBL29135581 | 0.88 | CA1 (0.41) | CA1CA2CA7CA4CA6 | |
| Benzene SCHEMBL9326550 | 0.85 | CA1 (0.40) | CA1CA2CA7CA4CA6 | |
| SCHEMBL28987461 | 0.75 | — | — | |
| SCHEMBL31135810 | 0.72 | — | — | |
| SCHEMBL22089786 | 0.72 | — | — | |
| SCHEMBL22903815 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023172726-A1 | NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE | BARUCH S. BLUMBERG INSTITUTE (US) | 2023-09-14 | — | — | WO | disclosed |