Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL97653 | 0.92 | CHEK1 (0.42) | CHEK1ALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL102179 | 0.89 | NPC1 (0.42) | ALDH1A1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL100322 | 0.88 | HPGD (0.44) | CHEK1ALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL662044 | 0.87 | CHRM3 (0.43) | — | |
| SCHEMBL99878 | 0.87 | KDM4E (0.43) | CHEK1KDM4EALDH1A1MAPTNPSR1 | |
| SCHEMBL102617 | 0.86 | HCAR2 (0.39) | HPGDSMN1; SMN2MEN1KMT2AHCAR2 | |
| SCHEMBL99659 | 0.83 | POLB (0.40) | ALDH1A1MAPTNPSR1HPGDSMN1; SMN2 | |
| SCHEMBL15823470 | 0.82 | ALDH1A1 (0.37) | ALDH1A1NPSR1SMN1; SMN2KMT2ANPC1 | |
| SCHEMBL100652 | 0.81 | HCAR2 (0.44) | HPGDSMN1; SMN2MEN1KMT2AHCAR2 | |
| SCHEMBL100167 | 0.81 | SMN1; SMN2 (0.43) | ALDH1A1MAPTSMN1; SMN2MEN1KMT2A |
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 |