Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.50 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.50 |
| ▸ | CETP | P11597 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 4/20 | 0.44 |
| ▸ | MMP2 | P08253 | 4/20 | 0.44 |
| ▸ | MMP9 | P14780 | 4/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | DDX3X | O00571 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28572812 | 0.93 | TP53 (0.44) | PDK1PDK2PDK3PDK4CETP | |
| SCHEMBL397003 | 0.83 | PDK1 (0.67) | PDK1PDK2PDK3PDK4CETP | |
| SCHEMBL15332043 | 0.78 | CETP (0.47) | CETPRAB9AHPGDALDH1A1MMP1 | |
| SCHEMBL7069760 | 0.77 | POLB (0.44) | NPC1RAB9AHPGDALDH1A1MMP1 | |
| SCHEMBL7013927 | 0.76 | ALDH1A1 (0.52) | NPC1RAB9AHPGDALDH1A1NPSR1 | |
| SCHEMBL19448892 | 0.75 | CETP (0.49) | PDK1PDK2PDK3PDK4CETP | |
| SCHEMBL5164739 | 0.74 | SMN1; SMN2 (0.44) | NPC1RAB9AHPGDALDH1A1NPSR1 | |
| SCHEMBL5706504 | 0.73 | CETP (0.71) | PDK1PDK2PDK3PDK4CETP | |
| SCHEMBL15427825 | 0.72 | CETP (0.57) | PDK1PDK2PDK3PDK4CETP | |
| SCHEMBL6349201 | 0.72 | PDK1 (0.70) | PDK1PDK2PDK3PDK4NPC1 |
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-113024399-A | Pharmaceutical intermediate compound and preparation method and application thereof | 华东理工大学 | 2021-06-25 | — | — | CN | claimed |
| CN-113024399-B | Pharmaceutical intermediate compound and preparation method and application thereof | 华东理工大学 | 2022-09-09 | — | — | CN | disclosed |
| CN-113024469-A | Synthesis method of telmisartan intermediate | 华东理工大学 | 2021-06-25 | — | — | CN | disclosed |
| CN-113024399-A | Pharmaceutical intermediate compound and preparation method and application thereof | 华东理工大学 | 2021-06-25 | — | — | CN | disclosed |