Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.33 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | PRKX | P51817 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.33 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8617556 | 0.78 | LRRK2 (0.33) | LRRK2 | |
| SCHEMBL8616373 | 0.77 | CYP2D6 (0.32) | CYP2D6HTTCYP2C9GRIN2BKDM4E | |
| SCHEMBL8617213 | 0.71 | ROCK2 (0.33) | ROCK2ROCK1TRPV6PKN2RPS6KA5 | |
| SCHEMBL8612159 | 0.69 | OPRM1 (0.33) | LRRK2 | |
| SCHEMBL7787450 | 0.64 | DRD2 (0.46) | ITGB3ITGA2B | |
| SCHEMBL8613339 | 0.63 | KDM4E (0.33) | ROCK2ROCK1TRPV6PKN2RPS6KA5 | |
| SCHEMBL8432259 | 0.61 | RECQL (0.54) | CYP2D6CYP3A4HTTLMNAKDM4E | |
| SCHEMBL8615087 | 0.60 | ITGB3 (0.36) | LTA4HKMT2AKDM4EITGB3ITGA2B | |
| SCHEMBL7402359 | 0.59 | CYP19A1 (0.46) | ROCK2ROCK1CDC42BPAKMT2AKDM4E | |
| SCHEMBL8301327 | 0.58 | KDM4E (0.43) | ROCK2TRPV6LTA4HKMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5786371-A | INHIBIT AGGREGATION OF BLOOD PLATELETS | BOEHRINGER MANNHEIM GMBH (DE) | 1998-07-28 | — | — | US | disclosed |