Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | GPR183 | P32249 | 6/20 | 0.54 |
| ▸ | ITGB2 | P05107 | 5/20 | 0.50 |
| ▸ | ICAM1 | P05362 | 5/20 | 0.50 |
| ▸ | ITGAL | P20701 | 5/20 | 0.50 |
| ▸ | CCR2 | P41597 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | PYGL | P06737 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2904598 | 1.00 | NPC1 (0.67) | NPC1RAB9ATDP1GPR183ITGB2 | |
| SCHEMBL2905095 | 0.95 | NPC1 (0.63) | NPC1RAB9ATDP1GPR183ITGB2 | |
| SCHEMBL2904428 | 0.95 | NPC1 (0.63) | NPC1RAB9ATDP1GPR183ITGB2 | |
| SCHEMBL2904426 | 0.95 | NPC1 (0.63) | NPC1RAB9ATDP1GPR183ITGB2 | |
| SCHEMBL2905101 | 0.95 | NPC1 (0.63) | NPC1RAB9ATDP1GPR183ITGB2 | |
| SCHEMBL2903391 | 0.92 | NPC1 (0.57) | NPC1RAB9ATDP1GPR183CCR2 | |
| SCHEMBL2903396 | 0.92 | NPC1 (0.57) | NPC1RAB9ATDP1GPR183CCR2 | |
| SCHEMBL2897317 | 0.91 | NPC1 (0.56) | NPC1RAB9ATDP1GPR183CCR2 | |
| SCHEMBL2897319 | 0.91 | NPC1 (0.56) | NPC1RAB9ATDP1GPR183CCR2 | |
| SCHEMBL2899591 | 0.90 | GPR183 (0.57) | NPC1RAB9ATDP1GPR183ITGB2 |
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 |