Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28515294 | 0.85 | CYP3A4 (0.39) | CYP3A4TDP1MAPTBACE1MAP2K4 | |
| SCHEMBL28569921 | 0.81 | CYP3A4 (0.42) | CYP3A4TDP1MAPTBACE1ALOX5 | |
| SCHEMBL28491054 | 0.79 | CYP3A4 (0.44) | CYP3A4TDP1MAPTALDH1A1ALOX15 | |
| SCHEMBL28535167 | 0.78 | ALDH1A1 (0.40) | CYP3A4TDP1MAPTBACE1ALOX5 | |
| SCHEMBL28510500 | 0.78 | CYP1A2 (0.40) | CYP3A4TDP1GPR3ALDH1A1TSHR | |
| SCHEMBL28292924 | 0.78 | PSMB5 (0.41) | CYP3A4TDP1MAPTBACE1ALOX5 | |
| SCHEMBL28294522 | 0.77 | KIF11 (0.46) | GPR3BACE1ALDH1A1TSHRCYP11B1 | |
| SCHEMBL29125480 | 0.77 | AKR1C3 (0.40) | CYP3A4TDP1GPR3MAPTALDH1A1 | |
| SCHEMBL30595056 | 0.77 | AKR1C3 (0.40) | CYP3A4TDP1GPR3MAPTALDH1A1 | |
| SCHEMBL29635182 | 0.76 | TDP1 (0.50) | CYP3A4TDP1BACE1ALDH1A1CYP2A6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114478627-B | Allylated monophosphine ligand and preparation method thereof | 湖北大学 | 2023-06-20 | — | — | CN | disclosed |
| CN-112876507-B | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 湖北大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-114478627-A | Allylation monophosphine ligand and preparation method thereof | 湖北大学 | 2022-05-13 | — | — | 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 |