Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 2/20 | 0.61 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.61 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.61 |
| ▸ | ROS1 | P08922 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | FER | P16591 | 2/20 | 0.55 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.55 |
| ▸ | LTK | P29376 | 1/20 | 0.55 |
| ▸ | CDK8 | P49336 | 1/20 | 0.55 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.55 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.46 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5893648 | 0.83 | CA12 (0.69) | CA12CA1CA2CA9MAOA | |
| SCHEMBL5750147 | 0.76 | CA1 (0.51) | CA12CA1CA2CA9CASP3 | |
| SCHEMBL11747629 | 0.76 | PTGS2 (0.41) | ACVR1LRRK2CDK5ROS1MEN1 | |
| SCHEMBL26327735 | 0.76 | PTGS2 (0.41) | ACVR1LRRK2CDK5ROS1MEN1 | |
| SCHEMBL3616249 | 0.73 | LRRK2 (0.64) | ACVR1LRRK2CDK5ROS1MEN1 | |
| SCHEMBL9094472 | 0.73 | ACVR1 (0.64) | ACVR1LRRK2CDK5ROS1MEN1 | |
| SCHEMBL3614440 | 0.73 | CHEK1 (0.81) | ACVR1LRRK2CDK5ROS1MEN1 | |
| SCHEMBL6298884 | 0.73 | ACVR1 (0.64) | ACVR1LRRK2CDK5ROS1MEN1 | |
| SCHEMBL1368292 | 0.72 | LRRK2 (1.00) | ACVR1LRRK2CDK5ROS1MEN1 | |
| SCHEMBL5918370 | 0.72 | ALDH1A1 (0.68) | ACVR1LRRK2CDK5ROS1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996029316-A1 | NEW SULFONE ESTER ANALOGUES OF iso-CLOZAPINE AND RELATED STRUCTURES: ATYPICAL NEUROLEPTICS | WIKSTROEM HAAKAN (NL) | 1996-09-26 | — | — | WO | disclosed |