Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PGK1 | P00558 | 2/20 | 0.37 |
| ▸ | PGK2 | P07205 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28674980 | 0.83 | TSHR (0.42) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL1203845 | 0.77 | TSHR (0.46) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL29080990 | 0.75 | ACHE (0.48) | TSHRALDH1A1CYP3A4MAPK1HPGD | |
| SCHEMBL15147577 | 0.74 | TSHR (0.44) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL6671376 | 0.74 | TSHR (0.44) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL14337805 | 0.72 | TSHR (0.48) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL3353801 | 0.72 | PGK1 (0.44) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL28664092 | 0.72 | HPGD (0.59) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL7594495 | 0.72 | TSHR (0.42) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL969484 | 0.72 | TSHR (0.56) | TSHRALDH1A1CYP3A4MAPK1TDP1 |
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-113583042-B | Preparation method of phosphoryl fluoride compound | 烟台大学 | 2023-08-29 | — | — | CN | disclosed |