Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | DUT | P33316 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL36167 | 0.82 | ALDH1A1 (0.51) | POLBEPHX1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL13178155 | 0.80 | ALDH1A1 (0.32) | POLBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9018639 | 0.79 | L3MBTL1 (0.47) | POLBEPHX1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9018636 | 0.79 | L3MBTL1 (0.47) | POLBEPHX1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL21427839 | 0.78 | POLB (0.36) | POLBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6566836 | 0.77 | EPHX1 (0.57) | POLBEPHX1ALDH1A1HTTKMT2A | |
| SCHEMBL16471907 | 0.76 | ALDH1A1 (0.34) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL12446622 | 0.75 | POLB (0.53) | POLBEPHX1ALDH1A1HTTKMT2A | |
| SCHEMBL7080075 | 0.75 | POLB (0.48) | POLBEPHX1ALDH1A1HTTKMT2A | |
| SCHEMBL3926071 | 0.73 | POLB (0.47) | POLBEPHX1ALDH1A1CYP3A4HTT |
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-104817472-B | A kind of novel gossypol derivative and preparation method thereof and antitumor are applied | 武汉大学 | 2016-08-24 | — | — | CN | disclosed |