Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.53 |
| ▸ | CCR5 | P51681 | 2/20 | 0.53 |
| ▸ | CCR8 | P51685 | 2/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ACLY | P53396 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6172927 | 0.88 | CCR1 (0.48) | CCR1CCR5CCR8CYP2A6CYP3A4 | |
| SCHEMBL18434453 | 0.88 | L3MBTL1 (0.57) | CCR1CCR5CCR8CYP2A6CYP3A4 | |
| SCHEMBL6175999 | 0.86 | CCR1 (0.59) | CCR1CCR5CCR8CYP2A6CYP3A4 | |
| SCHEMBL13097155 | 0.79 | PTGS2 (0.70) | CYP2A6CYP3A4PTGS1PTGS2MAOA | |
| SCHEMBL23989190 | 0.76 | CYP11B1 (0.71) | CYP2A6CYP3A4MAOAMAOBKDM4E | |
| SCHEMBL30473695 | 0.76 | PTGS1 (0.52) | CYP2A6CYP3A4PTGS1PTGS2CYP11B1 | |
| SCHEMBL6173962 | 0.76 | CCR1 (0.54) | CCR1CCR5CCR8CYP2A6CYP3A4 | |
| SCHEMBL6174019 | 0.76 | CYP2A6 (0.46) | CCR1CCR5CCR8CYP2A6CYP3A4 | |
| SCHEMBL3424504 | 0.73 | CYP2A6 (0.56) | CYP2A6CYP3A4MAOAMAOBKDM4E | |
| SCHEMBL25871383 | 0.73 | CYP2A6 (0.56) | CYP2A6CYP3A4PTGS2MAOAMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1562908-A1 | QUINOLINE DERIVATIVES | Pfizer Products Inc. (US) | 2005-08-17 | — | — | EP | disclosed |
| US-6894062-B1 | Quinoline derivatives | PFIZER INC. (US) | 2005-05-17 | — | — | US | disclosed |
| WO-2004043929-A1 | QUINOLINE DERIVATIVES | PFIZER PRODUCTS INC. (US) | 2004-05-27 | — | — | WO | disclosed |