Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1188527 | 0.79 | TSHR (0.47) | TSHRACHECA1CA2CA7 | |
| SCHEMBL20231791 | 0.77 | TSHR (0.45) | TSHRACHECA1CA2CA7 | |
| SCHEMBL5187678 | 0.75 | TSHR (0.43) | TSHRACHECA1CA2CA7 | |
| SCHEMBL230855 | 0.75 | TSHR (0.43) | TSHRACHECA1CA2CA7 | |
| SCHEMBL19895699 | 0.73 | TSHR (0.41) | TSHRACHECA1CA2CA7 | |
| Potassium SCHEMBL6755124 | 0.73 | TSHR (0.41) | TSHRACHECA1CA2CA7 | |
| SCHEMBL345497 | 0.73 | TSHR (0.41) | TSHRACHECA1CA2CA7 | |
| SCHEMBL1657671 | 0.73 | TSHR (0.41) | TSHRACHECA1CA2CA7 | |
| Ammonia Solution, Strong SCHEMBL17670038 | 0.73 | TSHR (0.41) | TSHRACHECA1CA2CA7 | |
| SCHEMBL1901489 | 0.73 | TSHR (0.41) | TSHRACHECA1CA2CA7 |
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 |