Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 9/20 | 0.52 |
| ▸ | PARP1 | P09874 | 6/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
| ▸ | IP6K3 | Q96PC2 | 5/20 | 0.42 |
| ▸ | IP6K2 | Q9UHH9 | 2/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899181 | 1.00 | IP6K1 (0.52) | IP6K1PARP1SLC2A1DHFRCHEK1 | |
| SCHEMBL31020875 | 0.70 | IP6K1 (1.00) | IP6K1PARP1SLC2A1CHEK1PIM1 | |
| SCHEMBL8976535 | 0.70 | IP6K1 (1.00) | IP6K1PARP1SLC2A1CHEK1PIM1 | |
| SCHEMBL25426738 | 0.67 | KMT2A (0.37) | — | |
| SCHEMBL28592272 | 0.67 | IP6K1 (0.54) | IP6K1PARP1SLC2A1CHEK1PIM1 | |
| SCHEMBL11120063 | 0.66 | IP6K1 (0.59) | IP6K1PARP1SLC2A1CHEK1PIM1 | |
| SCHEMBL4197466 | 0.65 | IP6K1 (0.68) | IP6K1PARP1SLC2A1CHEK1PIM1 | |
| SCHEMBL30434581 | 0.65 | IP6K1 (0.68) | IP6K1PARP1SLC2A1CHEK1PIM1 | |
| SCHEMBL642178 | 0.65 | PARP1 (1.00) | IP6K1PARP1SLC2A1CHEK1PIM1 | |
| SCHEMBL8622180 | 0.64 | ACVR1 (0.73) | IP6K1PARP1SLC2A1CHEK1PIM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109456308-B | Heterocyclic compounds as ASK inhibitors and their use | 南京圣和药业股份有限公司 | 2022-11-29 | — | — | CN | disclosed |