Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 7/20 | 0.39 |
| ▸ | GPR183 | P32249 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.35 |
| ▸ | ITGAL | P20701 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2897127 | 0.93 | CCR2 (0.45) | CCR2GPR183NPC1RAB9ATDP1 | |
| SCHEMBL2904785 | 0.92 | CCR2 (0.40) | CCR2GPR183ITGB2ICAM1ITGAL | |
| SCHEMBL2905340 | 0.91 | CCR2 (0.37) | CCR2GPR183NPC1RAB9ATDP1 | |
| SCHEMBL2902744 | 0.91 | CCR2 (0.40) | CCR2GPR183NPC1RAB9ATDP1 | |
| SCHEMBL2899720 | 0.89 | CCR2 (0.35) | CCR2GPR183NPC1RAB9ATDP1 | |
| SCHEMBL2899980 | 0.84 | CCR2 (0.39) | CCR2GPR183NPC1RAB9ATDP1 | |
| SCHEMBL2902946 | 0.84 | CCR2 (0.43) | CCR2GPR183NPC1RAB9ATDP1 | |
| SCHEMBL2902944 | 0.84 | CCR2 (0.43) | CCR2GPR183NPC1RAB9ATDP1 | |
| SCHEMBL2897074 | 0.83 | CCR2 (0.46) | CCR2GPR183NPC1RAB9ATDP1 | |
| SCHEMBL2905112 | 0.83 | ITGB2 (0.38) | CCR2GPR183ITGB2ICAM1ITGAL |
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-2010506-B1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-04 | — | — | EP | disclosed |