Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL13464298 | 0.79 | CYP3A4 (0.46) | CYP3A4RAPGEF4CYP2A6POLBGAA | |
| SCHEMBL13890679 | 0.71 | SCN4A (0.32) | RAPGEF4 | |
| SCHEMBL2688432 | 0.71 | ACHE (0.36) | CYP2A6ALDH1A1SMN1; SMN2 | |
| SCHEMBL91997 | 0.71 | — | — | |
| SCHEMBL31556280 | 0.71 | — | — | |
| SCHEMBL14483973 | 0.70 | IDO1 (0.36) | CYP3A4MAPTIDO1TP53SMN1; SMN2 | |
| SCHEMBL21737149 | 0.70 | CCR2 (0.34) | CYP3A4ALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL28352 | 0.69 | — | — | |
| SCHEMBL29351078 | 0.69 | — | — | |
| SCHEMBL20383160 | 0.69 | CYP3A4 (0.56) | CYP3A4RAPGEF4CYP2A6POLBGAA |
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-1558567-B1 | NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2009-06-24 | — | — | EP | disclosed |