Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 3/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3053571 | 0.86 | MAPK14 (0.63) | MAPK14ALDH1A1MEN1KMT2APTGES | |
| SCHEMBL2162478 | 0.79 | ROCK1 (0.53) | MAPK14ALDH1A1NPC1HTTRAB9A | |
| SCHEMBL3064954 | 0.78 | MAPK14 (0.49) | MAPK14RAB9AGAATSHR | |
| SCHEMBL9547649 | 0.76 | PTGES (0.47) | MAPK14ALDH1A1PTGESALOX5NPC1 | |
| SCHEMBL8010631 | 0.72 | CNR2 (0.60) | CNR2ALDH1A1TRPM8MEN1KMT2A | |
| SCHEMBL16114725 | 0.71 | MAPK14 (0.41) | MAPK14ALDH1A1LMNANPC1HTT | |
| SCHEMBL9200859 | 0.71 | HTR6 (0.50) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6732239 | 0.69 | RNF4 (0.57) | MAPK14ALDH1A1LTB4R2LMNANPC1 | |
| SCHEMBL9079846 | 0.69 | STAT3 (0.58) | CNR2TRPM8LTB4R2PTGESALOX5 | |
| SCHEMBL5848713 | 0.69 | PLAU (0.57) | MAPK14ALDH1A1LMNANPC1RAB9A |
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-2002042276-A1 | QUARTERNARY PROFORMS OF TERTIARY AMINE CONTAINING COMPOUNDS | LEO PHARMA A/S (DK) | 2002-05-30 | — | — | WO | disclosed |