Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SCN4A | P35499 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28527787 | 1.00 | ADORA2A (0.45) | ADORA2AADORA1NPC1RAB9AADORA3 | |
| SCHEMBL28334646 | 0.89 | ADORA2A (0.53) | ADORA2AADORA1ADORA3CYP2C9PDE4D | |
| SCHEMBL30438780 | 0.86 | ADORA2A (0.54) | ADORA2AADORA1ADORA3CYP2C9PDE4D | |
| SCHEMBL28524082 | 0.84 | ADORA2A (0.43) | ADORA2AADORA1ADORA3CYP2C9PDE4D | |
| SCHEMBL30438146 | 0.84 | ADORA2A (0.43) | ADORA2AADORA1ADORA3CYP2C9PDE4D | |
| SCHEMBL30437880 | 0.84 | ADORA2A (0.44) | ADORA2AADORA1NPC1RAB9AADORA3 | |
| SCHEMBL28524897 | 0.84 | ADORA2A (0.44) | ADORA2AADORA1NPC1RAB9AADORA3 | |
| SCHEMBL28533084 | 0.83 | ADORA2A (0.43) | ADORA2AADORA1ADORA3CYP2C9PDE4D | |
| SCHEMBL30438123 | 0.83 | ADORA2A (0.43) | ADORA2AADORA1ADORA3CYP2C9PDE4D | |
| SCHEMBL30438360 | 0.82 | ADORA1 (0.49) | ADORA2AADORA1ADORA3CYP2C9PDE4D |
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 |
|---|---|---|---|---|---|---|---|
| CN-112209930-B | Itratheophylline derivative, and preparation method and application thereof | 山东新华制药股份有限公司 | 2023-05-16 | — | — | CN | disclosed |