Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 3/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.44 |
| ▸ | FER | P16591 | 2/20 | 0.44 |
| ▸ | LTK | P29376 | 2/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.36 |
| ▸ | ROS1 | P08922 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 4/20 | 0.35 |
| ▸ | GSK3B | P49841 | 4/20 | 0.35 |
| ▸ | PLK4 | O00444 | 3/20 | 0.35 |
| ▸ | AURKA | O14965 | 3/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11168286 | 0.81 | ACVR1 (0.41) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL5697347 | 0.76 | ACVR1 (0.67) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL28517190 | 0.73 | PDGFRA (0.35) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL4490831 | 0.72 | LRRK2 (0.51) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL28552531 | 0.72 | AHR (0.50) | CDK5CYP1A2AHRPDK2BRD4 | |
| SCHEMBL29591948 | 0.67 | MAPT (0.52) | SMN1; SMN2AHRPDK2BRD4CREBBP | |
| SCHEMBL1247901 | 0.67 | MAPT (0.52) | SMN1; SMN2AHRPDK2BRD4CREBBP | |
| SCHEMBL18677464 | 0.67 | ACVR1 (0.45) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL8201662 | 0.66 | BRD4 (0.43) | SMN1; SMN2BRD4CREBBPMEN1KMT2A | |
| SCHEMBL18944286 | 0.65 | BRD4 (0.41) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828731-A1 | TRICYCLIC DIAZEPINES USEFUL AS GnRH RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 1998-03-18 | — | — | EP | disclosed |