Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL21333875 | 0.86 | TDP1 (0.50) | CYP3A4TDP1PDCD1CD274CYP2A6 | |
| SCHEMBL1011883 | 0.83 | TDP1 (0.52) | CYP3A4TDP1CYP2A6ALDH1A1TSHR | |
| SCHEMBL720170 | 0.81 | DRD1 (0.39) | CYP3A4TDP1TSHRESR2MYC | |
| SCHEMBL21331888 | 0.80 | CYP3A4 (0.44) | CYP3A4TDP1HTR7ALDH1A1HPGD | |
| SCHEMBL12601255 | 0.79 | CYP3A4 (0.39) | CYP3A4TDP1CYP2A6CYP2B6ALDH1A1 | |
| SCHEMBL21333867 | 0.78 | MYC (0.47) | CYP3A4TDP1HTR7TSHRCA12 | |
| SCHEMBL1768461 | 0.78 | TDP1 (0.42) | CYP3A4TDP1PDCD1CD274CYP2A6 | |
| SCHEMBL28538927 | 0.77 | CYP2A6 (0.59) | CYP3A4TDP1CYP2A6ALDH1A1HPGD | |
| SCHEMBL28529905 | 0.77 | HTR7 (0.42) | CYP3A4CYP2A6CYP2B6HTR7ALDH1A1 | |
| SCHEMBL21348875 | 0.76 | CYP3A4 (0.44) | CYP3A4TDP1CYP2A6CYP2B6ALDH1A1 |
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 4 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 |
| CN-109851635-A | A kind of new alkylation monophosphorus ligand and its simple preparation method | 湖北大学 | 2019-06-07 | — | — | CN | disclosed |