Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
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 | 0.80 | ADORA3 (0.43) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL12498674 | 0.78 | ADORA3 (0.42) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL12499593 | 0.76 | ADORA3 (0.40) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL862547 | 0.75 | TDP1 (0.54) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL12500032 | 0.74 | L3MBTL1 (0.39) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL31276757 | 0.68 | GPR3 (0.65) | ADORA3KDM4EPGRNR1H3ALDH1A1 | |
| SCHEMBL346785 | 0.68 | GPR3 (0.65) | ADORA3KDM4EPGRNR1H3ALDH1A1 | |
| SCHEMBL12427093 | 0.68 | KDM4E (0.54) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL31158539 | 0.67 | JAK2 (0.37) | ADORA3ADORA2AADORA2BADORA1MAPT | |
| SCHEMBL10025822 | 0.67 | CDC25A (0.50) | ADORA3ADORA2AADORA2BADORA1KDM4E |
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 |