Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL29597503 | 0.94 | MAPT (0.53) | NR1H2NR1H3POLBALDH1A1HPGD | |
| SCHEMBL29597097 | 0.94 | MAPT (0.50) | NR1H2NR1H3POLBALDH1A1HPGD | |
| SCHEMBL28720781 | 0.93 | POLB (0.54) | NR1H2NR1H3POLBALDH1A1HPGD | |
| SCHEMBL29493433 | 0.93 | KMT2A (0.49) | NR1H2NR1H3POLBALDH1A1HPGD | |
| SCHEMBL29493437 | 0.90 | LMNA (0.53) | NR1H2NR1H3POLBALDH1A1HPGD | |
| SCHEMBL29493430 | 0.87 | MAPT (0.47) | ALDH1A1HPGDKMT2AMEN1MAPT | |
| SCHEMBL29596125 | 0.87 | TP53 (0.53) | NR1H2NR1H3POLBALDH1A1HPGD | |
| SCHEMBL28721611 | 0.87 | POLB (0.49) | POLBALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL29596624 | 0.87 | TP53 (0.53) | POLBALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL29596169 | 0.85 | POLB (0.60) | NR1H2NR1H3POLBALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-114411178-B | Polysubstituted pyrazole compound and electrochemical synthesis method thereof | 南京工业大学 | 2023-06-30 | — | — | CN | disclosed |
| CN-114411178-A | Polysubstituted pyrazole compound and electrochemical synthesis method thereof | 南京工业大学 | 2022-04-29 | — | — | CN | disclosed |