Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CASP3 | P42574 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 2/20 | 0.50 |
| ▸ | CASP6 | P55212 | 2/20 | 0.50 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.50 |
| ▸ | CASP2 | P42575 | 1/20 | 0.50 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | FER | P16591 | 1/20 | 0.39 |
| ▸ | LTK | P29376 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Anthraquinone SCHEMBL22345157 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CASP3CASP7CASP6CASP8 | |
| Isatin SCHEMBL28191654 | 0.81 | MAOA (0.65) | GSK3BALDH1A1CASP3CASP7CASP6 | |
| Naphthoquinone SCHEMBL20603053 | 0.81 | CDC25B (0.54) | GSK3BALDH1A1CASP3CASP7FKBP5 | |
| Naphthoquinone SCHEMBL29667860 | 0.81 | CDC25B (0.54) | GSK3BALDH1A1CASP3CASP7FKBP5 | |
| Phthalic Anhydride SCHEMBL15568926 | 0.81 | TDP1 (0.54) | GSK3BALDH1A1FKBP5SMN1; SMN2CYP1A2 | |
| Phthalimide SCHEMBL29664386 | 0.76 | GSK3B (0.88) | GSK3BALDH1A1CASP3CASP7CASP6 | |
| Phthalimide SCHEMBL28619195 | 0.76 | GSK3B (0.88) | GSK3BALDH1A1CASP3CASP7CASP6 | |
| Phthalimide SCHEMBL6890310 | 0.76 | GSK3B (0.88) | GSK3BALDH1A1CASP3CASP7CASP6 | |
| Phthalimide SCHEMBL6244849 | 0.76 | GSK3B (0.88) | GSK3BALDH1A1CASP3CASP7CASP6 | |
| Imidazole SCHEMBL29222767 | 0.76 | ALDH1A1 (0.54) | ALDH1A1FKBP5 |
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 |
|---|---|---|---|---|---|---|---|
| US-8809368-B2 | Compounds affecting gap junction activity | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2014-08-19 | — | — | US | claimed |
| CN-104968657-A | Substituted triazole and imidazole compounds | HOFFMANN LA ROCHE | 2015-10-07 | — | — | CN | disclosed |