Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.47 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | GABRP | O00591 | 2/20 | 0.45 |
| ▸ | GABRD | O14764 | 2/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18304807 | 0.84 | KMT2A (0.58) | KMT2ANPSR1L3MBTL1POLBTP53 | |
| SCHEMBL29930960 | 0.83 | KMT2A (0.57) | KMT2ANPSR1L3MBTL1POLBTP53 | |
| SCHEMBL1528353 | 0.83 | KMT2A (0.57) | KMT2ANPSR1L3MBTL1POLBTP53 | |
| SCHEMBL69842 | 0.81 | KMT2A (0.64) | KMT2ANPSR1L3MBTL1POLBTP53 | |
| SCHEMBL28493209 | 0.81 | KMT2A (0.57) | KMT2ANPSR1L3MBTL1POLBTP53 | |
| SCHEMBL29867643 | 0.80 | KMT2A (0.54) | KMT2ANPSR1L3MBTL1POLBTP53 | |
| SCHEMBL18304782 | 0.80 | KMT2A (0.54) | KMT2ANPSR1L3MBTL1POLBTP53 | |
| SCHEMBL12797149 | 0.79 | KMT2A (0.53) | KMT2ANPSR1L3MBTL1POLBTP53 | |
| SCHEMBL91583 | 0.79 | KMT2A (0.53) | KMT2ANPSR1L3MBTL1POLBTP53 | |
| SCHEMBL30988463 | 0.78 | KMT2A (0.57) | KMT2ANPSR1L3MBTL1POLBTP53 |
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 |