Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.49 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.49 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.49 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.49 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.49 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.49 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28528248 | 0.87 | BACE1 (0.46) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL29669674 | 0.87 | BACE1 (0.46) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL28535166 | 0.83 | GSTP1 (0.47) | CYP3A4SMN1; SMN2ALDH1A1NCOA1NCOA3 | |
| SCHEMBL28507511 | 0.81 | ABL1 (0.51) | BACE1PTPN1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL31291739 | 0.81 | ABL1 (0.51) | BACE1PTPN1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28521698 | 0.79 | CA12 (0.48) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL7195223 | 0.78 | ALDH1A1 (0.49) | CYP3A4CYP1A2CYP2D6CYP2A6CYP2C19 | |
| SCHEMBL28292924 | 0.77 | PSMB5 (0.41) | CYP3A4BACE1KDM4EALDH1A1HPGD | |
| SCHEMBL28423522 | 0.77 | CYP1A1 (0.50) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL28569921 | 0.77 | CYP3A4 (0.42) | CYP3A4BACE1SMN1; SMN2KDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112876507-B | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 湖北大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-112876507-A | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 湖北大学 | 2021-06-01 | — | — | CN | disclosed |
| CN-109851635-B | Novel alkylated monophosphine ligand and simple preparation method thereof | 湖北大学 | 2021-03-16 | — | — | CN | disclosed |