Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 18/20 | 0.44 |
| ▸ | EDNRA | P25101 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL30634075 | 1.00 | CCR4 (0.44) | CCR4EDNRARXFP1 | |
| SCHEMBL20576083 | 0.81 | GAA (0.46) | CCR4EDNRA | |
| SCHEMBL30634111 | 0.81 | GAA (0.46) | CCR4EDNRA | |
| SCHEMBL5735882 | 0.69 | CCR4 (0.51) | CCR4 | |
| SCHEMBL5736375 | 0.68 | CCR4 (0.59) | CCR4 | |
| SCHEMBL24008327 | 0.66 | GABRA1 (0.46) | — | |
| SCHEMBL8395065 | 0.64 | EDNRA (0.71) | EDNRARXFP1 | |
| SCHEMBL9662651 | 0.64 | PTGES2 (0.41) | — | |
| SCHEMBL1188542 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL13852832 | 0.62 | ALDH1A1 (0.55) | CCR4 |
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-111566089-B | IRE1 small molecule inhibitors | 康奈尔大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-111566089-A | IRE1 small molecule inhibitor | 康奈尔大学 | 2020-08-21 | — | — | CN | disclosed |