Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 7/20 | 0.45 |
| ▸ | CTSS | P25774 | 7/20 | 0.45 |
| ▸ | CTSK | P43235 | 6/20 | 0.45 |
| ▸ | CTSL | P07711 | 6/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | PYGL | P06737 | 4/20 | 0.41 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.40 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.40 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | FCER2 | P06734 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25412557 | 1.00 | MALT1 (0.48) | MALT1CTSBCTSSCTSKCTSL | |
| SCHEMBL30288608 | 0.92 | MALT1 (0.53) | MALT1CTSBCTSSCTSKCTSL | |
| SCHEMBL30288612 | 0.90 | MALT1 (0.56) | MALT1CTSBCTSSCTSKCTSL | |
| SCHEMBL30288589 | 0.89 | MALT1 (0.54) | MALT1CTSBCTSSCTSKCTSL | |
| SCHEMBL30288595 | 0.89 | MALT1 (0.49) | MALT1CTSBCTSSCTSKCTSL | |
| SCHEMBL26307120 | 0.87 | MALT1 (0.49) | MALT1CTSBCTSSCTSKCTSL | |
| SCHEMBL30288624 | 0.87 | MALT1 (0.49) | MALT1CTSBCTSSCTSKCTSL | |
| SCHEMBL30288593 | 0.86 | SLC16A3 (0.48) | MALT1CTSBCTSSCTSKCTSL | |
| SCHEMBL30288584 | 0.86 | MALT1 (0.52) | MALT1CTSBCTSSCTSKCTSL | |
| SCHEMBL30288649 | 0.86 | MALT1 (0.48) | MALT1CTSBCTSSCTSKCTSL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023165168-A1 | APPLICATION OF PYRAZOLE DERIVATIVE AS β2 ADRENERGIC RECEPTOR ALLOSTERIC MODULATOR, ANTAGONIST AND AGONIST | 常州大学 | 2023-09-07 | — | — | WO | disclosed |
| CN-115894373-A | N-substituted benzylpyrazole derivatives as beta 2 Use of allosteric modulators, antagonists and agonists of the adrenergic receptor | 常州大学 | 2023-04-04 | — | — | CN | disclosed |