Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30206743 | 0.78 | ALDH1A1 (0.61) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11004268 | 0.78 | ALDH1A1 (0.61) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30206740 | 0.78 | ALDH1A1 (0.61) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7457328 | 0.77 | CHEK1 (0.33) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL30206678 | 0.76 | ALDH1A1 (0.65) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3785577 | 0.75 | ALDH1A1 (0.50) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29492486 | 0.75 | ALDH1A1 (0.50) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3789140 | 0.75 | TDP1 (0.56) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL654303 | 0.74 | ALDH1A1 (0.53) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28255761 | 0.74 | TDO2 (0.55) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023224560-A1 | ENZYMES AND USES IN BIOCATALYTIC HALOGENATION OF N-HETEROARYLS THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2023-11-23 | — | — | WO | disclosed |
| WO-2023224560-A1 | ENZYMES AND USES IN BIOCATALYTIC HALOGENATION OF N-HETEROARYLS THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2023-11-23 | — | — | WO | disclosed |