Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CCR2 | P41597 | 8/20 | 0.49 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | GPR183 | P32249 | 4/20 | 0.46 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.45 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.45 |
| ▸ | ITGAL | P20701 | 3/20 | 0.45 |
| ▸ | PYGL | P06737 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2904587 | 1.00 | NPC1 (0.55) | NPC1RAB9ATDP1CCR2SLC2A1 | |
| SCHEMBL2904426 | 0.92 | NPC1 (0.63) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL2904428 | 0.92 | NPC1 (0.63) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL2899972 | 0.91 | GPR183 (0.52) | NPC1RAB9ATDP1CCR2SLC2A1 | |
| SCHEMBL2899974 | 0.91 | GPR183 (0.52) | NPC1RAB9ATDP1CCR2SLC2A1 | |
| SCHEMBL2905095 | 0.90 | NPC1 (0.63) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL2905101 | 0.90 | NPC1 (0.63) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL2904898 | 0.89 | GPR183 (0.50) | NPC1RAB9ATDP1CCR2SLC2A1 | |
| SCHEMBL2904897 | 0.89 | GPR183 (0.50) | NPC1RAB9ATDP1CCR2SLC2A1 | |
| SCHEMBL2899068 | 0.89 | GPR183 (0.52) | NPC1RAB9ATDP1CCR2SLC2A1 |
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 |