Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 3/20 | 0.62 |
| ▸ | IP6K3 | Q96PC2 | 2/20 | 0.62 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.62 |
| ▸ | ACVR1 | Q04771 | 7/20 | 0.57 |
| ▸ | PARP1 | P09874 | 6/20 | 0.55 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | AKT1 | P31749 | 1/20 | 0.51 |
| ▸ | FLT3 | P36888 | 1/20 | 0.51 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.51 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.49 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8622180 | 0.84 | ACVR1 (0.73) | IP6K1IP6K3ACVR1PARP1CHEK1 | |
| SCHEMBL22980875 | 0.80 | IP6K1 (0.66) | IP6K1IP6K3IP6K2PARP1CHEK1 | |
| SCHEMBL17080826 | 0.79 | IP6K1 (0.64) | IP6K1IP6K3IP6K2PARP1CHEK1 | |
| SCHEMBL7980737 | 0.79 | ACVR1 (0.67) | IP6K1IP6K3IP6K2ACVR1PARP1 | |
| SCHEMBL13820309 | 0.77 | PARP1 (0.78) | IP6K1IP6K3ACVR1PARP1CHEK1 | |
| SCHEMBL11135261 | 0.75 | IP6K1 (0.63) | IP6K1IP6K3IP6K2ACVR1PARP1 | |
| SCHEMBL7427860 | 0.75 | IP6K1 (0.68) | IP6K1IP6K3IP6K2PARP1CHEK1 | |
| SCHEMBL8170598 | 0.75 | IP6K1 (0.71) | IP6K1IP6K3IP6K2ACVR1PARP1 | |
| SCHEMBL9911097 | 0.74 | IP6K1 (0.66) | IP6K1IP6K3IP6K2ACVR1PARP1 | |
| SCHEMBL28036066 | 0.74 | ACVR1 (0.64) | IP6K1IP6K3IP6K2ACVR1PARP1 |
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-108368053-A | Substituted benzazepine derivatives as antibacterial compounds | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-08-03 | — | — | CN | disclosed |