Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 5/20 | 0.41 |
| ▸ | CASP3 | P42574 | 6/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | FER | P16591 | 1/20 | 0.37 |
| ▸ | LTK | P29376 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 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 | |
|---|---|---|---|---|
| SCHEMBL5312970 | 0.90 | GSK3B (0.41) | GSK3BKDM4EALDH1A1GAAHPGD | |
| SCHEMBL5970012 | 0.89 | GSK3B (0.50) | GSK3BKDM4EALDH1A1GAAHPGD | |
| SCHEMBL8969034 | 0.88 | PARP1 (0.42) | GSK3BKDM4EALDH1A1GAAHPGD | |
| SCHEMBL2744968 | 0.85 | GSK3B (0.46) | GSK3BKDM4EALDH1A1GAAHPGD | |
| SCHEMBL11604274 | 0.85 | GSK3B (0.31) | GSK3BPARP1PDGFRAFERLTK | |
| SCHEMBL11015946 | 0.84 | GSK3B (0.45) | GSK3BKDM4EALDH1A1GAAHPGD | |
| SCHEMBL11206986 | 0.84 | GSK3B (0.45) | GSK3BKDM4EALDH1A1GAAHPGD | |
| SCHEMBL10914947 | 0.84 | GSK3B (0.45) | GSK3BKDM4EALDH1A1GAAHPGD | |
| SCHEMBL10712855 | 0.84 | GSK3B (0.45) | GSK3BKDM4EALDH1A1GAAHPGD | |
| SCHEMBL1892075 | 0.82 | KDM4E (0.45) | GSK3BKDM4EALDH1A1GAAHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105130874-B | A kind of method of phthalimide using carbonylation one pot process N substitutions | 华南理工大学 | 2018-01-16 | — | — | CN | disclosed |
| WO-2015108835-A1 | 3,3-DISUBSTITUTED-1-HYDROXYTRIAZ-1-ENE 2-OXIDES AND WOUND-HEALING COMPOSITIONS USING THEM | SARMONT LLC (US) | 2015-07-23 | — | — | WO | disclosed |
| WO-2014012074-A2 | NO-RELEASING NONOATE (NITROGEN-BOUND) SULFONAMIDE-LINKED-COXIB ANTI-CANCER AGENTS | Euclises Pharmaceuticals, Inc. (US) | 2014-01-16 | — | — | WO | disclosed |
| EP-0390515-A1 | Novel adenine derivatives and their use as agents for increasing crop yields | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1990-10-03 | — | — | EP | disclosed |