Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.43 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.38 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26640649 | 0.74 | CA12 (0.45) | CA12CA1CA9HCRTR1HCRTR2 | |
| SCHEMBL30648687 | 0.74 | CA12 (0.45) | CA12CA1CA9HCRTR1HCRTR2 | |
| SCHEMBL17879752 | 0.73 | CA12 (0.50) | CA12CA1CA9HCRTR1HCRTR2 | |
| SCHEMBL22271484 | 0.73 | CA12 (0.47) | CA12CA1CA9HCRTR1HCRTR2 | |
| SCHEMBL18498507 | 0.73 | CA12 (0.46) | CA12CA1CA9HCRTR1HCRTR2 | |
| SCHEMBL22866069 | 0.72 | CA12 (0.44) | CA12CA1CA9HCRTR1HCRTR2 | |
| SCHEMBL29608617 | 0.72 | CA12 (0.44) | CA12CA1CA9HCRTR1HCRTR2 | |
| SCHEMBL6958495 | 0.72 | SIRT2 (0.48) | CA12CA1CA9HCRTR1HCRTR2 | |
| SCHEMBL29029431 | 0.71 | HDAC3 (0.56) | CA12CA1CA9HCRTR1HCRTR2 | |
| SCHEMBL9946164 | 0.71 | HCRTR1 (0.50) | CA12CA1CA9HCRTR1HCRTR2 |
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-2022188735-A1 | HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS | GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) | 2022-09-15 | — | — | WO | disclosed |