Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 2/20 | 0.56 |
| ▸ | MMP13 | P45452 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CCR8 | P51685 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | PRKACA | P17612 | 2/20 | 0.48 |
| ▸ | PRKX | P51817 | 2/20 | 0.48 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.48 |
| ▸ | GRK5 | P34947 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5252907 | 0.87 | ROCK2 (0.64) | MMP13CYP3A4LMNAHTTSMN1; SMN2 | |
| SCHEMBL27965276 | 0.85 | MMP13 (0.69) | MMP13HTTSMN1; SMN2ROCK2ROCK1 | |
| SCHEMBL27931805 | 0.84 | ROCK2 (0.66) | MMP13MAPK14ROCK2ROCK1 | |
| SCHEMBL13729131 | 0.80 | MMP13 (0.52) | MMP13HTTSMN1; SMN2CYP2C9HPGD | |
| SCHEMBL13728776 | 0.80 | CCR8 (0.55) | MMP13CYP3A4MAPK14LMNAHTT | |
| Tert-Butylamine SCHEMBL28093817 | 0.79 | ROCK2 (0.60) | MMP13MAPK14ROCK2ROCK1 | |
| SCHEMBL13728282 | 0.79 | ROCK2 (0.55) | MMP13CYP3A4HTTSMN1; SMN2ROCK2 | |
| SCHEMBL13729455 | 0.78 | MAPK14 (0.50) | MMP13CYP3A4MAPK14LMNAHTT | |
| SCHEMBL1681517 | 0.77 | POLB (0.53) | FFAR1MMP13MAPK14LMNAMAPK8 | |
| SCHEMBL28042144 | 0.77 | MAPK8 (0.51) | FFAR1MMP13CYP3A4MAPK14LMNA |
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-2012151567-A1 | PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2012-11-08 | — | — | WO | disclosed |