Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | TAS2R31 | P59538 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6060024 | 0.98 | CYP3A4 (0.35) | CYP3A4ACHEHSD11B1TDP1CYP2C9 | |
| SCHEMBL6060773 | 0.81 | — | — | |
| SCHEMBL6060893 | 0.77 | USP2 (0.31) | CYP3A4ACHEUSP2 | |
| SCHEMBL6060883 | 0.77 | GAA (0.47) | TDP1PTPN1 | |
| SCHEMBL27831207 | 0.71 | CYP3A4 (0.43) | CYP3A4ACHEHSD11B1CYP2C19F10 | |
| SCHEMBL17854737 | 0.71 | CYP2C19 (0.37) | CYP3A4ACHEHSD11B1CYP2C19 | |
| SCHEMBL5645968 | 0.70 | LMNA (0.36) | HSD11B1TDP1CYP2C19 | |
| SCHEMBL10046778 | 0.69 | CYP3A4 (0.39) | CYP3A4ACHEHSD11B1TDP1CYP2C9 | |
| SCHEMBL8674651 | 0.69 | ALOX15 (0.38) | CYP3A4ACHEHSD11B1CYP2C19F10 | |
| SCHEMBL8675008 | 0.68 | ALOX15 (0.40) | CYP3A4ACHEHSD11B1F10CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006045246-A1 | CYCLOPENTANE CARBOXYLATE COMPOUNDS, PROCESS AND INTERMEDIATES FOR PREPARING THE SAME AND USE THEREOF | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2006-05-04 | — | — | WO | disclosed |