Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | LGALS8 | O00214 | 2/20 | 0.34 |
| ▸ | G6PD | P11413 | 2/20 | 0.33 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.33 |
| ▸ | M6PR | P20645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18971706 | 0.83 | ADORA2A (0.40) | CA1CA2CA9HSP90AA1ADORA3 | |
| SCHEMBL18971276 | 0.83 | ADORA2A (0.40) | CA1CA2CA9HSP90AA1ADORA3 | |
| SCHEMBL18971275 | 0.83 | ADORA2A (0.40) | CA1CA2CA9HSP90AA1ADORA3 | |
| SCHEMBL17484921 | 0.82 | ADORA3 (0.41) | CA1CA2CA9ADORA3 | |
| SCHEMBL5413280 | 0.81 | ADORA2A (0.41) | LGALS8HSP90AA1ADORA3HSP90B1ADORA2A | |
| SCHEMBL5763778 | 0.81 | ADORA2A (0.41) | LGALS8HSP90AA1ADORA3HSP90B1ADORA2A | |
| SCHEMBL4380400 | 0.81 | ADORA2A (0.41) | LGALS8HSP90AA1ADORA3HSP90B1ADORA2A | |
| SCHEMBL5742266 | 0.81 | ADORA2A (0.41) | LGALS8HSP90AA1ADORA3HSP90B1ADORA2A | |
| SCHEMBL18971396 | 0.80 | ADORA3 (0.38) | CA1CA2CA9LGALS8G6PD | |
| SCHEMBL18971393 | 0.80 | ADORA3 (0.38) | CA1CA2CA9LGALS8G6PD |
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-2024103400-A1 | POLYCYCLIC COMPOUND AS GPR75 ACTIVATOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 水木未来(北京)科技有限公司 | 2024-05-23 | — | — | WO | disclosed |