Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | C1S | P09871 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL1305676 | 0.77 | ALDH1A1 (0.40) | ALDH1A1TSHRHSP90AA1CCR6TPMT | |
| SCHEMBL29080989 | 0.75 | ACHE (0.48) | ALDH1A1TSHRHSP90AA1CYP3A4MAPK1 | |
| SCHEMBL28973807 | 0.74 | ALDH1A1 (0.38) | ALDH1A1TSHRHSP90AA1CCR6TPMT | |
| SCHEMBL28264040 | 0.72 | ALDH1A1 (0.41) | ALDH1A1TSHRHSP90AA1CCR6TPMT | |
| SCHEMBL14246454 | 0.72 | ALDH1A1 (0.36) | ALDH1A1TSHRHSP90AA1CCR6TPMT | |
| SCHEMBL28664090 | 0.72 | ACHE (0.44) | ALDH1A1TSHRTDP1ACHE | |
| Ammonia Solution, Strong SCHEMBL17670042 | 0.70 | ALDH1A1 (0.39) | ALDH1A1TSHRHSP90AA1CCR6TPMT | |
| SCHEMBL28425258 | 0.67 | ALDH1A1 (0.57) | ALDH1A1TSHRHSP90AA1CCR6TPMT | |
| SCHEMBL19376983 | 0.67 | ALDH1A1 (0.57) | ALDH1A1TSHRHSP90AA1CCR6TPMT | |
| SCHEMBL341533 | 0.67 | ALDH1A1 (0.67) | ALDH1A1TSHRHSP90AA1CCR6TPMT |
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 |