Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 3/20 | 0.41 |
| ▸ | TPH1 | P17752 | 1/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | PDE9A | O76083 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12481069 | 0.80 | MAPK1 (0.53) | NPC1MAPK1MEN1KMT2AGAA | |
| SCHEMBL20695961 | 0.79 | MAPK1 (0.51) | NPC1MAPK1MEN1KMT2AGAA | |
| SCHEMBL21516008 | 0.79 | MAPK1 (0.51) | NPC1MAPK1MEN1KMT2AGAA | |
| SCHEMBL110394 | 0.79 | NPC1 (0.51) | NPC1MAPK1MEN1KMT2AGAA | |
| SCHEMBL18584960 | 0.79 | NPC1 (0.56) | NPC1MAPK1MEN1KMT2AGAA | |
| SCHEMBL24352674 | 0.78 | NPC1 (0.47) | NPC1MAPK1MEN1KMT2AGAA | |
| SCHEMBL10918669 | 0.77 | NPC1 (0.46) | NPC1MAPK1MEN1KMT2AGAA | |
| SCHEMBL4341886 | 0.77 | MAPK1 (0.67) | NPC1MAPK1MEN1KMT2AGAA | |
| SCHEMBL20773519 | 0.76 | NPC1 (0.49) | NPC1MAPK1MEN1KMT2AGAA | |
| SCHEMBL30332519 | 0.76 | NPC1 (0.49) | NPC1MAPK1MEN1KMT2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |