Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | DRD5 | P21918 | 1/20 | 0.51 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.50 |
| ▸ | QTRT1 | Q9BXR0 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | TNKS | O95271 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28507693 | 0.98 | PARP1 (0.56) | PARP1ADORA3ADORA2AADORA1DRD1 | |
| SCHEMBL28501122 | 0.95 | PARP1 (0.58) | PARP1ADORA3ADORA2AADORA1DRD1 | |
| SCHEMBL16404341 | 0.92 | PARP1 (0.62) | PARP1TNKS2QTRT1TNKS | |
| SCHEMBL7713954 | 0.86 | PARP1 (0.54) | PARP1TNKS2QTRT1TNKS | |
| SCHEMBL30496105 | 0.86 | PARP1 (0.54) | PARP1TNKS2QTRT1TNKS | |
| SCHEMBL30176907 | 0.85 | PARP1 (0.53) | PARP1TNKS2QTRT1MGLLTNKS | |
| SCHEMBL29499009 | 0.85 | ATM (0.48) | PARP1ADORA3ADORA2AADORA1QTRT1 | |
| SCHEMBL5535583 | 0.84 | PARP1 (0.50) | PARP1TNKS2QTRT1TNKS | |
| SCHEMBL6645409 | 0.81 | PARP1 (0.53) | PARP1TNKS2QTRT1TNKS | |
| SCHEMBL23717050 | 0.81 | MGLL (0.55) | PARP1TNKS2MGLLTNKS |
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-111518039-B | Preparation method of nonmetal-promoted 2-alkyl heteroarene compound | 西安交通大学 | 2022-05-06 | — | — | CN | disclosed |