Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15626892 | 0.95 | ADORA2A (0.49) | ADORA2AKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL15626803 | 0.93 | ADORA2A (0.49) | ADORA2AKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL15626826 | 0.93 | ADORA2A (0.49) | ADORA2AKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL15626791 | 0.91 | ADORA2A (0.50) | ADORA2AKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL15626945 | 0.90 | ADORA2A (0.49) | ADORA2AKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL15626954 | 0.90 | ADORA2A (0.48) | ADORA2AKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL15626944 | 0.90 | ADORA2A (0.49) | ADORA2AKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL15626834 | 0.89 | ADORA2A (0.44) | ADORA2AKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL15629750 | 0.88 | ADORA2A (0.45) | ADORA2AKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL15626822 | 0.88 | ADORA2A (0.50) | ADORA2AKDM4EALDH1A1HPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012163465-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE | MERCK PATENT GMBH (DE) | 2012-12-06 | — | — | WO | disclosed |