Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | DPP4 | P27487 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.47 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28297784 | 0.92 | KDM4E (0.50) | THRBKDM4EMAPTDPP4SMN1; SMN2 | |
| SCHEMBL28297774 | 0.92 | KDM4E (0.50) | THRBKDM4EMAPTDPP4SMN1; SMN2 | |
| SCHEMBL20439010 | 0.86 | KDM4E (0.55) | THRBKDM4EMAPTDPP4SMN1; SMN2 | |
| SCHEMBL25175456 | 0.85 | THRB (0.54) | THRBKDM4EMAPTDPP4SMN1; SMN2 | |
| SCHEMBL12883601 | 0.84 | GPR119 (0.49) | THRBKDM4EMAPTDPP4SMN1; SMN2 | |
| SCHEMBL12883599 | 0.84 | GPR119 (0.49) | THRBKDM4EMAPTDPP4SMN1; SMN2 | |
| SCHEMBL7982515 | 0.84 | THRB (0.53) | THRBKDM4EMAPTDPP4SMN1; SMN2 | |
| SCHEMBL25939333 | 0.84 | THRB (0.53) | THRBKDM4EMAPTDPP4SMN1; SMN2 | |
| SCHEMBL28812695 | 0.83 | GPR119 (0.54) | THRBKDM4EMAPTSMN1; SMN2NAMPT | |
| SCHEMBL31700475 | 0.81 | MAPT (0.50) | THRBKDM4EMAPTDPP4SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018137555-A1 | POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUND DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF | 浙江大学 | 2018-08-02 | — | — | WO | disclosed |