Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | USP8 | P40818 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29514213 | 0.77 | PGR (0.36) | ALDH1A1 | |
| SCHEMBL30403702 | 0.76 | CYP2C9 (0.46) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL30605084 | 0.71 | CSNK1D (0.48) | — | |
| SCHEMBL30405582 | 0.70 | CYP2A6 (0.38) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL29514172 | 0.68 | CSNK1A1 (0.39) | ALDH1A1 | |
| SCHEMBL16682846 | 0.68 | PDCD1 (0.55) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL24892502 | 0.66 | AAK1 (0.49) | CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL30405703 | 0.65 | CYP2A6 (0.42) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL12279439 | 0.63 | CYP2A6 (0.54) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL2689845 | 0.63 | CYP2A6 (0.54) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 |
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 |