Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | MPI | P34949 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 8/20 | 0.46 |
| ▸ | HTR2A | P28223 | 7/20 | 0.46 |
| ▸ | HTR2B | P41595 | 6/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28687305 | 1.00 | ALDH1A1 (0.49) | ALDH1A1MEN1HPGDKMT2ALMNA | |
| SCHEMBL28395131 | 0.76 | ALDH1A1 (0.44) | ALDH1A1MEN1HPGDKMT2ALMNA | |
| SCHEMBL18115471 | 0.75 | HTR2C (0.64) | ALDH1A1POLBHTR2CHTR2AHTR2B | |
| SCHEMBL30543250 | 0.74 | PDE3B (0.56) | MEN1KMT2ATP53HTR2CHTR2A | |
| SCHEMBL28493964 | 0.74 | PDE3B (0.56) | MEN1KMT2ATP53HTR2CHTR2A | |
| SCHEMBL8188963 | 0.74 | ACHE (0.47) | ALDH1A1MEN1HPGDKMT2ALMNA | |
| SCHEMBL3779809 | 0.74 | HTR2A (0.58) | MEN1KMT2AHTR2CHTR2AHTR2B | |
| SCHEMBL8221443 | 0.73 | MEN1 (0.44) | ALDH1A1MEN1HPGDKMT2ALMNA | |
| SCHEMBL1561740 | 0.73 | HTR2A (0.51) | ALDH1A1MEN1HPGDKMT2AHTR2C | |
| SCHEMBL643543 | 0.72 | ALDH1A1 (0.54) | ALDH1A1MEN1HPGDKMT2ALMNA |
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-113896725-B | Pyrazoloquinoline compound and preparation method and application thereof | 沈阳药科大学 | 2022-10-25 | — | — | CN | disclosed |