Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | SELE | P16581 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1710182 | 0.86 | NPC1 (0.38) | NPC1RAB9AKDM4CICAM1SELE | |
| SCHEMBL3125092 | 0.80 | NPC1 (0.36) | NPC1RAB9AKDM4CICAM1SELE | |
| SCHEMBL3125095 | 0.80 | NPC1 (0.34) | NPC1RAB9AKDM4CICAM1SELE | |
| SCHEMBL1710342 | 0.78 | NPC1 (0.33) | NPC1RAB9AKDM4CPTPN1 | |
| SCHEMBL1710353 | 0.78 | NPC1 (0.39) | NPC1RAB9AKDM4CICAM1SELE | |
| SCHEMBL1564476 | 0.74 | NPC1 (0.39) | NPC1RAB9AKDM4CICAM1SELE | |
| SCHEMBL1710252 | 0.73 | KDM4C (0.39) | NPC1RAB9AKDM4CICAM1SELE | |
| SCHEMBL31576127 | 0.73 | KDM4C (0.49) | NPC1RAB9AKDM4CL3MBTL1MEN1 | |
| SCHEMBL4988791 | 0.72 | NPC1 (0.44) | NPC1RAB9AKDM4CL3MBTL1CREBBP | |
| SCHEMBL17150168 | 0.72 | KDM4E (0.43) | NPC1RAB9AKDM4CICAM1SELE |
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-2344477-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | Jerini AG (DE) | 2011-07-20 | — | — | EP | disclosed |