Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 4/20 | 0.44 |
| ▸ | CTSL | P07711 | 4/20 | 0.44 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | CTSK | P43235 | 4/20 | 0.44 |
| ▸ | CTSV | O60911 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.41 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.41 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR1E | P28566 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30288616 | 1.00 | MEN1 (0.46) | MEN1KMT2AALPLGPR55CTSB | |
| SCHEMBL28978170 | 1.00 | MEN1 (0.46) | MEN1KMT2AALPLGPR55CTSB | |
| SCHEMBL30288604 | 0.99 | MEN1 (0.46) | MEN1KMT2AALPLGPR55CTSB | |
| SCHEMBL28978172 | 0.99 | MEN1 (0.46) | MEN1KMT2AALPLGPR55CTSB | |
| SCHEMBL28978169 | 0.99 | MEN1 (0.46) | MEN1KMT2AALPLGPR55CTSB | |
| SCHEMBL28978156 | 0.96 | ALPL (0.47) | MEN1KMT2AALPLGPR55CTSB | |
| SCHEMBL28978153 | 0.96 | ALPL (0.47) | MEN1KMT2AALPLGPR55CTSB | |
| SCHEMBL28978143 | 0.96 | ALPL (0.43) | MEN1KMT2AALPLGPR55CTSB | |
| SCHEMBL28978144 | 0.96 | MEN1 (0.46) | MEN1KMT2AALPLGPR55CTSB | |
| SCHEMBL30288605 | 0.96 | MEN1 (0.46) | MEN1KMT2AALPLGPR55CTSB |
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 |