Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | QTRT1 | Q9BXR0 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 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 | |
|---|---|---|---|---|
| SCHEMBL29499006 | 0.85 | PARP1 (0.55) | ATMQTRT1ADORA3ADORA2AADORA1 | |
| SCHEMBL28507693 | 0.83 | PARP1 (0.56) | QTRT1ADORA3ADORA2AADORA1PARP1 | |
| SCHEMBL28501122 | 0.80 | PARP1 (0.58) | QTRT1ADORA3ADORA2AADORA1PARP1 | |
| SCHEMBL16404341 | 0.76 | PARP1 (0.62) | QTRT1PARP1ALOX15 | |
| SCHEMBL7713954 | 0.72 | PARP1 (0.54) | QTRT1PARP1 | |
| SCHEMBL30496105 | 0.72 | PARP1 (0.54) | QTRT1PARP1 | |
| SCHEMBL30176907 | 0.71 | PARP1 (0.53) | QTRT1MGLLPARP1 | |
| SCHEMBL5535583 | 0.70 | PARP1 (0.50) | QTRT1PARP1 | |
| SCHEMBL24325022 | 0.70 | ELANE (0.59) | ATMTDP1L3MBTL1ELANEMGLL | |
| SCHEMBL692785 | 0.70 | ELANE (0.59) | ATMTDP1L3MBTL1ELANEMGLL |
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 |