Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8190562 | 0.82 | ALDH1A1 (0.67) | KDM4EALDH1A1POLBXBP1HPGD | |
| SCHEMBL12233436 | 0.81 | MEN1 (0.38) | KDM4EALDH1A1POLBHPGDMAPT | |
| SCHEMBL8174005 | 0.78 | ADORA2A (0.52) | KDM4EALDH1A1POLBHPGDMAPT | |
| SCHEMBL8196621 | 0.75 | HK1 (0.42) | KDM4EALDH1A1POLB | |
| SCHEMBL14893220 | 0.73 | ADORA2A (0.60) | MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL27344227 | 0.71 | ALDH1A1 (0.51) | KDM4EALDH1A1POLBXBP1HPGD | |
| SCHEMBL27344137 | 0.71 | ALDH1A1 (0.51) | KDM4EALDH1A1POLBXBP1HPGD | |
| SCHEMBL27344138 | 0.70 | KDM4E (0.52) | KDM4EALDH1A1POLBXBP1HPGD | |
| SCHEMBL31065369 | 0.69 | KMT2A (0.56) | KDM4EALDH1A1POLBXBP1HPGD | |
| SCHEMBL27341196 | 0.69 | KMT2A (0.56) | KDM4EALDH1A1POLBXBP1HPGD |
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-2008077557-A1 | 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS | SCHWARZ PHARMA AG (DE) | 2008-07-03 | — | — | WO | disclosed |