Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 4/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 9/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28281951 | 0.85 | ACE (0.36) | ACE | |
| SCHEMBL28002392 | 0.81 | ACE (0.42) | ACEHSP90AA1HSP90AB1 | |
| Benzene SCHEMBL28150775 | 0.81 | ACE (0.42) | ACEHSP90AA1HSP90AB1 | |
| SCHEMBL28234415 | 0.78 | ACE (0.36) | ACEHSP90AA1HSP90AB1PARP1 | |
| SCHEMBL28246850 | 0.77 | HSD17B3 (0.38) | ACEHSP90AA1HSP90AB1 | |
| SCHEMBL28056681 | 0.77 | SLC6A2 (0.38) | ACEHSP90AA1HSP90AB1 | |
| SCHEMBL27846951 | 0.77 | SLC6A2 (0.37) | ACE | |
| SCHEMBL27920541 | 0.76 | ACE (0.41) | ACEHSP90AA1HSP90AB1 | |
| SCHEMBL28361507 | 0.75 | ACE (0.40) | ACEHSP90AA1HSP90AB1 | |
| SCHEMBL27982978 | 0.75 | ACE (0.41) | ACEHSP90AA1HSP90AB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104151118-B | A kind of alcohol selective oxidation prepares the method for aldehydes or ketones | ZHENGZHOU UNIVERSITY (CN) | 2015-12-30 | — | — | CN | disclosed |
| CN-104151118-A | Method for preparing aldehyde or ketone by virtue of selective oxidation of alcohol | UNIV ZHENGZHOU | 2014-11-19 | — | — | CN | disclosed |