Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL16613484 | 0.89 | ADORA2A (0.42) | ADORA2AVCPGGPS1FDPSKDM4E | |
| SCHEMBL16613628 | 0.89 | ADORA2A (0.41) | ADORA2AVCPGGPS1FDPSPDE4B | |
| SCHEMBL16613485 | 0.87 | DHODH (0.41) | ADORA2AVCPGGPS1FDPSKDM4E | |
| SCHEMBL16613533 | 0.85 | DHODH (0.40) | ADORA2AVCPGGPS1FDPSKDM4E | |
| SCHEMBL16613531 | 0.85 | ADORA2A (0.39) | ADORA2AVCPGGPS1FDPSKDM4E | |
| SCHEMBL16613534 | 0.84 | DHODH (0.39) | ADORA2AVCPGGPS1FDPSKDM4E | |
| SCHEMBL16613545 | 0.83 | ADORA2A (0.36) | ADORA2AVCPGGPS1FDPS | |
| SCHEMBL16613738 | 0.81 | PDE4A (0.41) | ADORA2APDE4BKDM4ETSHRHSD17B10 | |
| SCHEMBL12014855 | 0.81 | ALDH1A1 (0.49) | ADORA2AKDM4EKMT2AMEN1ATM | |
| SCHEMBL29694525 | 0.80 | L3MBTL1 (0.48) | ADORA2AKDM4EKMT2AMEN1ATM |
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-2015047058-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2015-04-02 | — | — | WO | disclosed |