Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.63 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.45 |
| ▸ | DHFR | P00374 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.42 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL30979864 | 0.79 | ADORA2A (0.74) | ADORA2ASCN9ANUDT1ADORA1DHFR | |
| SCHEMBL29368486 | 0.78 | ADORA2A (1.00) | ADORA2ASCN9ANUDT1ADORA1MAPT | |
| SCHEMBL8368164 | 0.76 | ADORA2A (0.47) | ADORA2ASCN9ANUDT1DHFRMAPT | |
| SCHEMBL1884625 | 0.73 | ADORA2A (0.64) | ADORA2ANUDT1ADORA1DHFRMAPT | |
| SCHEMBL29371576 | 0.73 | ADORA2A (0.66) | ADORA2ASCN9ANUDT1DHFR | |
| SCHEMBL5619409 | 0.72 | PDE4B (0.48) | ADORA2ADHFR | |
| SCHEMBL6027816 | 0.71 | ADORA2A (0.62) | ADORA2ASCN9ANUDT1ADORA1DHFR | |
| SCHEMBL2900381 | 0.70 | PKM (0.83) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL5384654 | 0.70 | ALDH1A1 (0.64) | MAPTTP53ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL14820340 | 0.69 | DHFR (0.69) | ADORA1DHFR |
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 |
|---|---|---|---|---|---|---|---|
| US-6727256-B1 | 4-AMINOQUINAZOLINE DERIVATIVES AS ANTICARCINOGENIC AGENTS | SMITHKLINE BEECHAM CORPORATION | 2004-04-27 | — | — | US | disclosed |