Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.43 |
| ▸ | LDHA | P00338 | 5/20 | 0.42 |
| ▸ | LDHB | P07195 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.41 |
| ▸ | GLRB | P48167 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | DAGLA | Q9Y4D2 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | SLC37A4 | O43826 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TRPM7 | Q96QT4 | 1/20 | 0.36 |
| ▸ | BID | P55957 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27890160 | 0.82 | SLC6A3 (0.45) | PTPN1PTPN11LDHALDHBCYP3A4 | |
| SCHEMBL2655601 | 0.81 | PTPN11 (0.46) | PTPN1PTPN11LDHALDHBCYP3A4 | |
| SCHEMBL5587863 | 0.81 | PTPN1 (0.43) | PTPN1PTPN11LDHALDHBCYP3A4 | |
| SCHEMBL8776785 | 0.79 | CYP3A4 (0.52) | PTPN1PTPN11LDHALDHBCYP3A4 | |
| 3-Methylorsellinic Acid SCHEMBL963740 | 0.78 | CYP3A4 (0.61) | PTPN1LDHALDHBCYP3A4ACHE | |
| 3-Methylorsellinic Acid SCHEMBL31741224 | 0.78 | CYP3A4 (0.61) | PTPN1LDHALDHBCYP3A4ACHE | |
| 3-Methylorsellinic Acid SCHEMBL30016632 | 0.78 | CYP3A4 (0.61) | PTPN1LDHALDHBCYP3A4ACHE | |
| SCHEMBL27635551 | 0.77 | PTPN1 (0.41) | PTPN1PTPN11LDHALDHBCYP3A4 | |
| SCHEMBL31643481 | 0.74 | LDHA (0.43) | PTPN1LDHALDHBCYP3A4ACHE | |
| SCHEMBL5589785 | 0.73 | PTPN1 (0.43) | PTPN1PTPN11LDHALDHBCYP3A4 |
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-118652180-A | Aromatic polyketone compound, preparation method thereof and application of aromatic polyketone compound in inhibiting activity and anti-tumor activity of PTP1B | 宜昌市中心人民医院(三峡大学第一临床医学院、三峡大学附属中心人民医院) | 2024-09-17 | — | — | CN | disclosed |
| CN-118652179-A | Novel aromatic polyketone compound and preparation method and application thereof | 宜昌市中心人民医院(三峡大学第一临床医学院、三峡大学附属中心人民医院) | 2024-09-17 | — | — | CN | disclosed |