Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | LSS | P48449 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774886 | 1.00 | CYP2C9 (0.35) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL8774879 | 0.92 | MAOA (0.38) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL8774872 | 0.92 | MAOA (0.38) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL8774647 | 0.90 | SPHK1 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8774636 | 0.90 | SPHK1 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8774920 | 0.89 | SPHK1 (0.49) | CYP2C9MAPTSPHK1 | |
| SCHEMBL9152491 | 0.84 | CYP2C9 (0.40) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL9152496 | 0.84 | CYP2C9 (0.40) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL8774056 | 0.83 | DRD2 (0.38) | ALDH1A1MAPTMEN1KMT2ASPHK1 | |
| SCHEMBL8774047 | 0.83 | DRD2 (0.38) | ALDH1A1MAPTMEN1KMT2ASPHK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |