Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 7/20 | 0.48 |
| ▸ | IP6K3 | Q96PC2 | 3/20 | 0.48 |
| ▸ | IP6K2 | Q9UHH9 | 3/20 | 0.48 |
| ▸ | PARP1 | P09874 | 7/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17080827 | 0.78 | IP6K1 (0.55) | IP6K1IP6K3IP6K2PARP1CHEK1 | |
| SCHEMBL8170598 | 0.75 | IP6K1 (0.71) | IP6K1IP6K3IP6K2PARP1CHEK1 | |
| SCHEMBL28100493 | 0.74 | IP6K1 (0.49) | IP6K1IP6K3IP6K2PARP1CHEK1 | |
| SCHEMBL28100544 | 0.69 | TP53 (0.37) | — | |
| SCHEMBL22042406 | 0.68 | IP6K1 (0.61) | IP6K1IP6K3IP6K2PARP1CHEK1 | |
| SCHEMBL874691 | 0.67 | HPGD (0.51) | — | |
| SCHEMBL27947190 | 0.67 | IP6K1 (0.62) | IP6K1IP6K3IP6K2PARP1CHEK1 | |
| SCHEMBL25721982 | 0.66 | IP6K1 (0.58) | IP6K1IP6K3IP6K2PARP1CHEK1 | |
| SCHEMBL7784180 | 0.66 | HPGD (0.50) | — | |
| SCHEMBL15543392 | 0.66 | HPGD (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106132956-B | Heterocyclic compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2019-12-10 | — | — | CN | disclosed |
| CN-106132956-A | Heterocyclic compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2016-11-16 | — | — | CN | disclosed |