Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | USP8 | P40818 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14844897 | 0.84 | MPO (0.44) | HTTALDH1A1 | |
| SCHEMBL30405199 | 0.82 | CDC7 (0.46) | CYP2C9HTTPIK3CAPIK3CBPIK3CG | |
| SCHEMBL14764810 | 0.78 | LRRK2 (0.33) | CYP2A6CYP11B2 | |
| SCHEMBL16008737 | 0.75 | MAPK14 (0.47) | HTTALDH1A1 | |
| SCHEMBL18802950 | 0.74 | GRM5 (0.40) | HTTALDH1A1 | |
| SCHEMBL30403702 | 0.72 | CYP2C9 (0.46) | CYP2A6CYP2C9CYP2E1CYP2B6CYP2C19 | |
| SCHEMBL30605064 | 0.71 | MAPK14 (0.43) | HTTALDH1A1 | |
| SCHEMBL29514377 | 0.69 | GRM5 (0.42) | — | |
| SCHEMBL29050045 | 0.69 | GRM5 (0.42) | — | |
| SCHEMBL30305796 | 0.69 | CSNK1E (0.50) | CYP11B2HTTPIK3CAALDH1A1 |
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-116171280-A | Casein kinase 1 delta modulators | 詹森药业有限公司 | 2023-05-26 | — | — | CN | disclosed |