Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 3/20 | 0.67 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.67 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.67 |
| ▸ | FER | P16591 | 2/20 | 0.67 |
| ▸ | LTK | P29376 | 2/20 | 0.67 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.67 |
| ▸ | CDK8 | P49336 | 1/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.59 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.50 |
| ▸ | GSK3B | P49841 | 5/20 | 0.50 |
| ▸ | ROS1 | P08922 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | GSK3A | P49840 | 4/20 | 0.48 |
| ▸ | PLK4 | O00444 | 3/20 | 0.48 |
| ▸ | AURKA | O14965 | 3/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.48 |
| ▸ | CDK2 | P24941 | 3/20 | 0.48 |
| ▸ | CSNK1D | P48730 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12242976 | 0.83 | ACVR1 (0.56) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL12778078 | 0.83 | PDK2 (0.63) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL1368292 | 0.81 | LRRK2 (1.00) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL12778077 | 0.81 | CREBBP (0.59) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL14559393 | 0.80 | ACVR1 (0.52) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL366728 | 0.79 | — | — | |
| SCHEMBL2420711 | 0.79 | LRRK2 (0.90) | ACVR1LRRK2PDGFRAFERLTK | |
| Hydrochloric Acid SCHEMBL6299954 | 0.79 | LRRK2 (0.95) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL624418 | 0.78 | GAA (0.59) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL29369547 | 0.78 | GAA (0.59) | ACVR1LRRK2PDGFRAFERLTK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1516041-B1 | USE OF TRANSITION METAL COMPLEXES WITH NITROGEN-CONTAINING POLYDENTATE LIGANDS AS A BLEACHING CATALYST AND BLEACHING AGENT COMPOSITION | DEGUSSA (DE) | 2006-06-28 | — | — | EP | disclosed |
| US-20040053802-A1 | Use of transition metal complexes with nitrogen-containing polydentate ligands as a bleaching catalyst and bleaching agent composition | DEGUSSA AG | 2004-03-18 | — | — | US | disclosed |