Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 6/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | ACE | P12821 | 2/20 | 0.37 |
| ▸ | REN | P00797 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21581703 | 0.89 | CAPN1 (0.45) | CAPN1CTSBBDKRB2OPRM1OPRD1 | |
| SCHEMBL26454162 | 0.89 | CAPN1 (0.45) | CAPN1CTSBBDKRB2OPRM1OPRD1 | |
| SCHEMBL21581735 | 0.85 | OPRM1 (0.55) | BDKRB2OPRM1OPRD1 | |
| SCHEMBL30872271 | 0.80 | CAPN1 (0.42) | CAPN1CTSBBDKRB2OPRM1OPRD1 | |
| SCHEMBL29407980 | 0.80 | CAPN1 (0.43) | CAPN1BDKRB2OPRM1OPRD1F2 | |
| SCHEMBL29541526 | 0.80 | ITGB3 (0.40) | CAPN1CTSBBDKRB2OPRM1OPRD1 | |
| SCHEMBL30185030 | 0.78 | BDKRB2 (0.46) | CAPN1BDKRB2OPRM1OPRD1F2 | |
| SCHEMBL30872273 | 0.77 | OPRM1 (0.44) | CAPN1CTSBBDKRB2OPRM1OPRD1 | |
| SCHEMBL30783025 | 0.77 | OPRM1 (0.46) | BDKRB2OPRM1OPRD1 | |
| SCHEMBL31146384 | 0.76 | ACE (0.39) | BDKRB2OPRM1ACERENF2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019222805-A1 | NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW | THE UNIVERSITY OF SYDNEY (AU) | 2019-11-28 | — | — | WO | disclosed |