Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 8/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956893 | 0.86 | CA1 (0.39) | CA1CA2AKR1C3KAT2BBAZ2B | |
| SCHEMBL29953161 | 0.82 | KAT2B (0.50) | CA1CA2KAT2BBAZ2BCXCR5 | |
| SCHEMBL29956486 | 0.78 | MAP4K4 (0.40) | PARP10PARP1MKNK1MKNK2CYP11B1 | |
| SCHEMBL29953583 | 0.78 | CA1 (0.39) | CA1CA2 | |
| SCHEMBL29951166 | 0.76 | ERN1 (0.41) | PARP10MKNK1MKNK2KCNH2KAT2B | |
| SCHEMBL29954020 | 0.76 | MKNK1 (0.42) | PARP10PARP1MKNK1MKNK2KCNH2 | |
| SCHEMBL31188846 | 0.75 | BCAT2 (0.56) | PARP1MKNK1MKNK2KCNH2CXCR5 | |
| SCHEMBL29954655 | 0.74 | CA1 (0.39) | CA1CA2CXCR5 | |
| SCHEMBL29957323 | 0.74 | CA1 (0.36) | CA1CA2 | |
| SCHEMBL29951453 | 0.73 | PARP10 (0.50) | PARP10MKNK1MKNK2KCNH2OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |