Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | OGA | O60502 | 6/20 | 0.36 |
| ▸ | ARG1 | P05089 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 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 | |
|---|---|---|---|---|
| SCHEMBL9979865 | 0.80 | ALDH1A1 (0.60) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL27030569 | 0.80 | SMN1; SMN2 (0.45) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL12767170 | 0.78 | ALDH1A1 (0.43) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL9976594 | 0.77 | TLR8 (0.44) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL12727195 | 0.77 | ALDH1A1 (0.42) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL9979813 | 0.75 | ALDH1A1 (0.50) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL13154264 | 0.75 | ALDH1A1 (0.50) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL4437203 | 0.74 | LTA4H (0.49) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL18427275 | 0.74 | LTA4H (0.46) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL14367254 | 0.73 | KDM4E (0.47) | ALDH1A1JAK2JAK1TYK2JAK3 |
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-2758389-B1 | PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-06-07 | — | — | EP | disclosed |