Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | ACE | P12821 | 4/20 | 0.33 |
| ▸ | PER2 | O15055 | 1/20 | 0.33 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6205796 | 0.84 | MEN1 (0.36) | ALDH1A1ACESMN1; SMN2HTT | |
| SCHEMBL23907338 | 0.82 | NAAA (0.37) | ALDH1A1ACESMN1; SMN2HTT | |
| SCHEMBL23001009 | 0.79 | ACE (0.41) | NOS3NOS1NOS2CYP2C19ALDH1A1 | |
| SCHEMBL1114602 | 0.75 | CYP3A4 (0.44) | ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL9692949 | 0.75 | NOS3 (0.43) | NOS3NOS1NOS2CYP2C19ALDH1A1 | |
| SCHEMBL6294033 | 0.75 | ENO1 (0.42) | NOS3NOS1NOS2ACEPER2 | |
| SCHEMBL3475826 | 0.75 | NOS3 (0.39) | NOS3NOS1NOS2CYP2C19ALDH1A1 | |
| SCHEMBL13074068 | 0.74 | ENO1 (0.41) | NOS3NOS1NOS2CYP2C19ALDH1A1 | |
| SCHEMBL10877680 | 0.73 | NOS3 (0.40) | NOS3NOS1NOS2CYP2C19ALDH1A1 | |
| SCHEMBL6204993 | 0.72 | HTT (0.36) | ALDH1A1SMN1; SMN2HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534681-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-01 | — | — | EP | claimed |
| WO-2004002960-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-08 | — | — | WO | claimed |
| EP-1534681-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002960-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-08 | — | — | WO | disclosed |