Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.56 |
| ▸ | CCR5 | P51681 | 1/20 | 0.56 |
| ▸ | CCR8 | P51685 | 1/20 | 0.56 |
| ▸ | NOS3 | P29474 | 2/20 | 0.49 |
| ▸ | NOS1 | P29475 | 2/20 | 0.49 |
| ▸ | NOS2 | P35228 | 2/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CBFB | Q13951 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7239732 | 0.80 | CCR1 (0.58) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL7844941 | 0.76 | CCR1 (0.61) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL2651772 | 0.76 | CCR1 (0.56) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL29395249 | 0.74 | CCR1 (1.00) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL182529 | 0.74 | CCR1 (1.00) | CCR1CCR5CCR8NOS3NOS1 | |
| Methane SCHEMBL21386924 | 0.72 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL29903189 | 0.72 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL8746042 | 0.72 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL9135460 | 0.72 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL28212407 | 0.72 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6521643-B1 | Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-02-18 | — | — | US | disclosed |
| EP-1157022-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000049015-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-08-24 | — | — | WO | disclosed |