Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 13/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL28042098 | 1.00 | ACHE (0.54) | ACHETDP1EPHX1CYP4F2CYP4A11 | |
| SCHEMBL13278329 | 0.98 | ACHE (0.51) | ACHETDP1EPHX1CYP4F2CYP4A11 | |
| SCHEMBL17393935 | 0.92 | ACHE (0.44) | ACHETDP1EPHX1CYP4F2CYP4A11 | |
| SCHEMBL28512894 | 0.86 | MEN1 (0.47) | ACHEEPHX1CYP4F2CYP4A11GAA | |
| SCHEMBL29150989 | 0.85 | ACHE (0.51) | ACHETDP1EPHX1CYP4F2CYP4A11 | |
| SCHEMBL21404623 | 0.85 | ACHE (0.51) | ACHETDP1EPHX1CYP4F2CYP4A11 | |
| SCHEMBL29172694 | 0.85 | EPHX1 (0.63) | ACHEEPHX1 | |
| SCHEMBL28517906 | 0.85 | EPHX1 (0.63) | ACHEEPHX1 | |
| SCHEMBL21059244 | 0.85 | EPHX1 (0.63) | ACHEEPHX1 | |
| SCHEMBL28804144 | 0.85 | EPHX1 (0.63) | ACHEEPHX1 |
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-107849055-A | Macrocyclic compound as IRAK1/4 inhibitor and application thereof | 默克专利有限公司 | 2018-03-27 | — | — | CN | disclosed |