Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL101634 | 0.91 | POLB (0.46) | KDM4EALDH1A1MAPTNPSR1CHEK1 | |
| SCHEMBL99117 | 0.87 | CHEK1 (0.38) | KDM4EALDH1A1MAPTNPSR1CHEK1 | |
| SCHEMBL102612 | 0.86 | NPC1 (0.48) | ALDH1A1MAPTHPGDSOAT1CYP3A4 | |
| SCHEMBL100422 | 0.85 | HPGD (0.51) | KDM4EALDH1A1MAPTNPSR1CHEK1 | |
| SCHEMBL663123 | 0.85 | CHRM3 (0.49) | — | |
| Iodide SCHEMBL98738 | 0.84 | CHRM3 (0.40) | KDM4EALDH1A1MAPTNPSR1CHEK1 | |
| SCHEMBL100918 | 0.81 | AKR1C3 (0.46) | HPGDSOAT1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL15823257 | 0.81 | POLB (0.45) | KDM4EALDH1A1NPSR1CHEK1HPGD | |
| SCHEMBL100933 | 0.80 | POLB (0.46) | ALDH1A1MAPTHPGDSOAT1SMN1; SMN2 | |
| SCHEMBL101227 | 0.80 | NPC1 (0.45) | ALDH1A1MAPTCYP3A4SMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | claimed |