Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.33 |
| ▸ | PKN2 | Q16513 | 4/20 | 0.33 |
| ▸ | RPS6KA5 | O75582 | 3/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | LTK | P29376 | 2/20 | 0.33 |
| ▸ | CDK8 | P49336 | 2/20 | 0.33 |
| ▸ | PRKX | P51817 | 2/20 | 0.33 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.33 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.33 |
| ▸ | STK3 | Q13188 | 2/20 | 0.33 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.33 |
| ▸ | BRSK1 | Q8TDC3 | 2/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | CHUK | O15111 | 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 | |
|---|---|---|---|---|
| SCHEMBL18560523 | 1.00 | ROCK2 (0.33) | ROCK2ROCK1PKN2RPS6KA5LRRK2 | |
| SCHEMBL10623586 | 0.80 | ROCK2 (0.30) | ROCK2ROCK1 | |
| SCHEMBL1299770 | 0.80 | ROCK2 (0.30) | ROCK2ROCK1 | |
| SCHEMBL13190682 | 0.80 | ROCK2 (0.30) | ROCK2ROCK1 | |
| SCHEMBL133489 | 0.79 | — | — | |
| SCHEMBL635168 | 0.79 | ROCK2 (0.37) | ROCK2ROCK1PKN2RPS6KA5LRRK2 | |
| SCHEMBL511273 | 0.79 | — | — | |
| SCHEMBL164676 | 0.79 | — | — | |
| SCHEMBL887223 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL3508127 | 0.76 | — | — |
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-3325490-B1 | 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICALS CO (JP) | 2019-12-18 | — | — | EP | disclosed |