Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | GPR3 | P46089 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | PI4KA | P42356 | 1/20 | 0.44 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.44 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4512439 | 0.83 | NPC1 (0.50) | ADORA2AKDM4EGPR3NPC1RAB9A | |
| SCHEMBL28395491 | 0.78 | NPC1 (0.57) | ADORA2AKDM4EGPR3NPC1RAB9A | |
| SCHEMBL3075421 | 0.78 | ADORA2A (0.75) | ADORA2AKDM4EGPR3NPC1RAB9A | |
| SCHEMBL18890764 | 0.77 | KDM4E (0.48) | ADORA2AKDM4EGPR3NPC1RAB9A | |
| SCHEMBL4510544 | 0.76 | ADORA3 (0.45) | ADORA2AKDM4EGPR3NPC1RAB9A | |
| SCHEMBL29966674 | 0.76 | NPC1 (0.63) | ADORA2AKDM4EGPR3NPC1RAB9A | |
| SCHEMBL3076524 | 0.76 | NPC1 (0.63) | ADORA2AKDM4EGPR3NPC1RAB9A | |
| SCHEMBL29942654 | 0.76 | NPC1 (0.63) | ADORA2AKDM4EGPR3NPC1RAB9A | |
| SCHEMBL29614829 | 0.76 | NPC1 (0.63) | ADORA2AKDM4EGPR3NPC1RAB9A | |
| SCHEMBL4491347 | 0.75 | ADORA2A (0.70) | ADORA2AKDM4EGPR3NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-20190153309-A1 | Dinuclear Organometallic Complex and Application Using Same | ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) | 2019-05-23 | — | — | US | disclosed |