Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9258181 | 0.86 | ADORA2B (0.61) | ERCC1FEN1ERCC4ALDH1A1KDM4E | |
| SCHEMBL9253597 | 0.74 | ADORA1 (0.56) | ALDH1A1KDM4EADORA2AADORA2BMAPT | |
| SCHEMBL17626212 | 0.69 | ALDH1A1 (0.56) | ERCC1FEN1ERCC4ALDH1A1KDM4E | |
| SCHEMBL13700971 | 0.68 | ALDH1A1 (0.70) | ERCC1FEN1ERCC4ALDH1A1KDM4E | |
| SCHEMBL31276955 | 0.68 | ALDH1A1 (0.70) | ERCC1FEN1ERCC4ALDH1A1KDM4E | |
| SCHEMBL10424759 | 0.67 | KDM4E (0.47) | ERCC1FEN1ERCC4ALDH1A1KDM4E | |
| SCHEMBL9118620 | 0.65 | ALDH1A1 (0.49) | ERCC1FEN1ERCC4ALDH1A1KDM4E | |
| SCHEMBL4032042 | 0.65 | ERCC1 (1.00) | ERCC1FEN1ERCC4ALDH1A1KDM4E | |
| SCHEMBL9121239 | 0.64 | KDM4E (0.48) | ERCC1FEN1ERCC4ALDH1A1KDM4E | |
| SCHEMBL9602029 | 0.64 | ERCC1 (0.50) | ERCC1FEN1ERCC4ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5453426-A | Sulfur-containing xanthine derivatives as adenosine antagonists | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-09-26 | — | — | US | disclosed |
| WO-1990012797-A1 | SULFER-CONTAINING XANTHINE DERIVATIVES AS ADENOSIN ANTAGONISTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) | 1990-11-01 | — | — | WO | disclosed |