Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23798836 | 0.78 | ADORA3 (0.43) | ADORA3ADORA2AADORA2BADORA1ERCC1 | |
| SCHEMBL12498673 | 0.78 | ADORA3 (0.43) | ADORA3ADORA2AADORA2BADORA1ERCC1 | |
| SCHEMBL12500032 | 0.77 | L3MBTL1 (0.39) | ADORA3ADORA2AADORA2BADORA1ERCC1 | |
| SCHEMBL12499593 | 0.74 | ADORA3 (0.40) | ADORA3ADORA2AADORA2BADORA1ERCC1 | |
| SCHEMBL862547 | 0.74 | TDP1 (0.54) | ADORA3ADORA2AADORA2BADORA1ERCC1 | |
| SCHEMBL9922702 | 0.71 | ALDH1A1 (0.58) | ADORA3ADORA2AADORA2BADORA1ERCC1 | |
| SCHEMBL10025822 | 0.69 | CDC25A (0.50) | ADORA3ADORA2AADORA2BADORA1ERCC1 | |
| SCHEMBL12687071 | 0.69 | BRD4 (0.40) | KDM4EALDH1A1BRD4LMNAKMT2A | |
| SCHEMBL346785 | 0.67 | GPR3 (0.65) | ADORA3ERCC1FEN1ERCC4KDM4E | |
| SCHEMBL31276757 | 0.67 | GPR3 (0.65) | ADORA3ERCC1FEN1ERCC4KDM4E |
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-2012102985-A1 | ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV | GLAXOSMITHKLINE LLC (US) | 2012-08-02 | — | — | WO | disclosed |