Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | TTR | P02766 | 2/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.50 |
| ▸ | HTR3B | O95264 | 2/20 | 0.50 |
| ▸ | HTR3A | P46098 | 2/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2127233 | 1.00 | TRPV4 (0.55) | TRPV4CA2ACHECA12CA1 | |
| SCHEMBL28298273 | 0.97 | TRPV4 (0.53) | TRPV4CA2ACHECA12CA1 | |
| Acetic Acid SCHEMBL10997206 | 0.87 | TTR (0.55) | TRPV4CA2CA12CA1CA7 | |
| SCHEMBL4344793 | 0.86 | TRPV4 (0.48) | TRPV4CA2ACHECA12CA1 | |
| SCHEMBL29273440 | 0.86 | TRPV4 (0.48) | TRPV4CA2ACHECA12CA1 | |
| SCHEMBL19697763 | 0.86 | TRPV4 (0.48) | TRPV4CA2ACHECA12CA1 | |
| SCHEMBL4350642 | 0.86 | TRPV4 (0.48) | TRPV4CA2ACHECA12CA1 | |
| SCHEMBL3537469 | 0.84 | TRPV4 (0.47) | TRPV4CA2ACHECA12CA1 | |
| SCHEMBL519223 | 0.84 | TRPV4 (0.47) | TRPV4CA2ACHECA12CA1 | |
| SCHEMBL19088280 | 0.83 | TRPV4 (0.46) | TRPV4ALDH1A1TP53SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110036001-B | Benzo [ b ] thiophene compounds as STING agonists | 默沙东公司 | 2022-03-22 | — | — | CN | disclosed |