Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL22360524 | 0.87 | PTGS2 (0.32) | — | |
| SCHEMBL11758308 | 0.84 | SIGMAR1 (0.41) | CA1CA2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6332807 | 0.80 | SLC6A3 (0.45) | SLC6A2SLC6A4SLC6A3SIGMAR1L3MBTL1 | |
| SCHEMBL22360609 | 0.76 | SIGMAR1 (0.43) | CA1CA2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23522350 | 0.72 | SIGMAR1 (0.43) | SLC6A2SLC6A4SLC6A3SIGMAR1L3MBTL1 | |
| SCHEMBL22360540 | 0.72 | — | — | |
| SCHEMBL12156565 | 0.72 | TACR1 (0.36) | CA1CA2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12156552 | 0.72 | TACR1 (0.36) | CA1CA2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25723890 | 0.72 | ADAM17 (0.44) | SIGMAR1L3MBTL1MAPT | |
| SCHEMBL22360594 | 0.71 | SIGMAR1 (0.33) | CA1CA2SLC6A2SLC6A4SLC6A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3924361-B1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LTD (IN) | 2023-09-06 | — | — | EP | disclosed |
| WO-2021161206-A1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2021-08-19 | — | — | WO | disclosed |
| WO-2020165741-A1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2020-08-20 | — | — | WO | disclosed |