Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HNF4A | P41235 | 2/20 | 0.42 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 2/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL3964102 | 1.00 | BACE1 (0.48) | BACE1PTPN1MEN1KMT2ARAB9A | |
| SCHEMBL5248612 | 0.86 | RAB9A (0.54) | BACE1PTPN1MEN1KMT2ARAB9A | |
| SCHEMBL3973286 | 0.82 | MCL1 (0.41) | BACE1ERN1PTGS1ADORA3MAPT | |
| SCHEMBL27257880 | 0.79 | MEN1 (0.52) | BACE1PTPN1MEN1KMT2ARAB9A | |
| SCHEMBL27259135 | 0.79 | MEN1 (0.55) | BACE1MEN1KMT2ARAB9AALOX5 | |
| SCHEMBL3963384 | 0.77 | ALDH1A1 (0.56) | BACE1MEN1KMT2ARAB9AALOX5 | |
| SCHEMBL2790318 | 0.74 | PTPN1 (0.56) | BACE1PTPN1ERN1 | |
| Biphenyl SCHEMBL27258264 | 0.74 | HDAC4 (0.52) | BACE1MEN1KMT2AALOX5ALDH1A1 | |
| SCHEMBL9469384 | 0.74 | BACE1 (0.58) | BACE1PTPN1MEN1KMT2AALOX5 | |
| SCHEMBL3970096 | 0.74 | ERN1 (0.50) | BACE1ACMSDERN1HDAC8MCL1 |
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-114082446-B | Chiral zirconium catalyst for preparing chiral alpha-hydroxy-beta-keto ester compound and preparation method thereof | 南开沧州渤海新区绿色化工研究有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-114082446-A | Chiral zirconium catalyst for preparing chiral alpha-hydroxy-beta-keto ester compound and preparation method thereof | 南开沧州渤海新区绿色化工研究有限公司 | 2022-02-25 | — | — | CN | disclosed |