Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | FEN1 | P39748 | 6/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 5/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28986385 | 0.77 | MEN1 (0.46) | CYP1A2HIF1ACYP2C19TSHRCES2 | |
| SCHEMBL10476046 | 0.75 | CYP2C19 (0.44) | CYP1A2HIF1ACYP2C19TSHRFEN1 | |
| SCHEMBL3535049 | 0.75 | CYP2C19 (0.53) | CYP1A2HIF1ACYP2C19FEN1ERCC5 | |
| SCHEMBL11839587 | 0.72 | SMN1; SMN2 (0.49) | CYP1A2HIF1ACYP2C19TSHRKMT2A | |
| SCHEMBL11237111 | 0.70 | TSHR (0.50) | CYP1A2HIF1ACYP2C19TSHRPTPN1 | |
| SCHEMBL8161300 | 0.70 | CYP1A2 (0.52) | CYP1A2HIF1ACYP2C19TSHRPTPN1 | |
| SCHEMBL6548609 | 0.70 | HIF1A (0.57) | CYP1A2HIF1ACYP2C19TSHRCNR1 | |
| SCHEMBL15125012 | 0.68 | HIF1A (0.55) | CYP1A2HIF1ACYP2C19TSHRCNR1 | |
| SCHEMBL7157506 | 0.67 | TSHR (0.52) | CYP1A2CYP2C19TSHRALDH1A1KCNN4 | |
| SCHEMBL22616416 | 0.67 | CYP1A2 (0.67) | CYP1A2HIF1ACYP2C19TSHRPTPN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115806531-B | Preparation method of 4, 5-dihydro-5, 5-diphenyl isoxazole-3-formic acid and derivatives thereof | 新发药业有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-115806531-B | Preparation method of 4, 5-dihydro-5, 5-diphenyl isoxazole-3-formic acid and derivatives thereof | 新发药业有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-115806531-A | Preparation method of 4, 5-dihydro-5, 5-diphenyl isoxazole-3-formic acid and derivatives thereof | 新发药业有限公司 | 2023-03-17 | — | — | CN | disclosed |
| CN-115806531-A | Preparation method of 4, 5-dihydro-5, 5-diphenyl isoxazole-3-formic acid and derivatives thereof | 新发药业有限公司 | 2023-03-17 | — | — | CN | disclosed |