Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4201803 | 0.83 | CYP2D6 (0.41) | CYP2D6NR5A1LTA4HCYP3A4NPC1 | |
| SCHEMBL3662611 | 0.81 | NR5A1 (0.42) | CYP2D6NR5A1LTA4HCYP3A4NPC1 | |
| SCHEMBL28717776 | 0.81 | NR5A1 (0.42) | CYP2D6NR5A1LTA4HCYP3A4NPC1 | |
| SCHEMBL4924806 | 0.77 | CYP2D6 (0.46) | CYP2D6NR5A1LTA4HCYP3A4NPC1 | |
| SCHEMBL28434198 | 0.76 | CYP2D6 (0.37) | CYP2D6NR5A1LTA4HCYP3A4NPC1 | |
| SCHEMBL7179056 | 0.74 | HTT (0.50) | ALDH1A1HTTTSHRMEN1THRB | |
| SCHEMBL25242882 | 0.72 | THRB (0.54) | ALDH1A1HTTTSHRMEN1THRB | |
| SCHEMBL31106045 | 0.72 | THRB (0.54) | ALDH1A1HTTTSHRMEN1THRB | |
| SCHEMBL22497321 | 0.72 | THRB (0.54) | ALDH1A1HTTTSHRMEN1THRB | |
| SCHEMBL5953347 | 0.72 | THRB (0.54) | ALDH1A1HTTTSHRMEN1THRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-110229333-B | Synthetic method of polyimide | 湘潭大学 | 2022-02-15 | — | — | CN | disclosed |