Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 3/20 | 0.36 |
| ▸ | YAP1 | P46937 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21447298 | 1.00 | KLK5 (0.38) | KLK5RXRARXRBRXRGCACNA1B | |
| SCHEMBL23357008 | 0.92 | ACE (0.41) | RXRARXRBRXRGACEATR | |
| SCHEMBL23357006 | 0.92 | ACE (0.41) | RXRARXRBRXRGACEATR | |
| SCHEMBL21447300 | 0.87 | RXRA (0.38) | RXRARXRBRXRGCACNA1BACE | |
| SCHEMBL21447319 | 0.81 | RXRA (0.35) | RXRARXRBRXRGACEATR | |
| SCHEMBL29688302 | 0.81 | RXRA (0.35) | RXRARXRBRXRGACEATR | |
| SCHEMBL23356978 | 0.75 | RXRA (0.44) | RXRARXRBRXRGATRCYP3A4 | |
| SCHEMBL23356981 | 0.75 | RXRA (0.44) | RXRARXRBRXRGATRCYP3A4 | |
| SCHEMBL31757963 | 0.74 | CACNA1B (0.38) | KLK5CACNA1BACE | |
| SCHEMBL28574846 | 0.73 | RXRA (0.41) | RXRARXRBRXRGATR |
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-112867705-A | Opioid receptor modulators and products and methods related thereto | 埃皮欧黛公司 | 2021-05-28 | — | — | CN | disclosed |