Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24553575 | 0.85 | ALDH1A1 (0.46) | ADORA2AADORA1ADORA3CA12CA1 | |
| SCHEMBL29456690 | 0.82 | KDM4E (0.44) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL25826819 | 0.79 | PPARA (0.37) | CA1CA2CA9ALDH1A1 | |
| SCHEMBL25424201 | 0.79 | TP53 (0.33) | ALDH1A1 | |
| SCHEMBL31465653 | 0.78 | SSTR4 (0.34) | — | |
| SCHEMBL24192223 | 0.77 | CA12 (0.48) | ADORA2AADORA1ADORA3CA12CA1 | |
| SCHEMBL24192594 | 0.76 | CA12 (0.40) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL25471683 | 0.73 | CTSS (0.48) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL25056245 | 0.73 | ALDH1A1 (0.46) | ADORA2AADORA1ADORA3ALDH1A1GFER | |
| SCHEMBL25301986 | 0.72 | IDO1 (0.47) | CA12CA1CA2CA9IDO1 |
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-2023133375-A1 | MACROCYCLIC COMPOUNDS AND USE AS KINASE INHIBITORS | BLOSSOMHILL THERAPEUTICS, INC. (US) | 2023-07-13 | — | — | WO | disclosed |