Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 4/20 | 0.48 |
| ▸ | MLYCD | O95822 | 1/20 | 0.47 |
| ▸ | PTGIR | P43119 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.42 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.42 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2417142 | 0.97 | HAO1 (0.53) | HAO1SLC6A2SLC6A4SLC6A3KIF11 | |
| SCHEMBL7938569 | 0.87 | HAO1 (0.47) | HAO1SLC6A2SLC6A4SLC6A3KIF11 | |
| SCHEMBL4455809 | 0.87 | ALDH1A1 (0.59) | HAO1SLC6A2SLC6A4SLC6A3KIF11 | |
| SCHEMBL506624 | 0.85 | MLYCD (0.66) | HAO1SLC6A2SLC6A4SLC6A3KIF11 | |
| SCHEMBL6251649 | 0.85 | KIF11 (0.64) | HAO1SLC6A2SLC6A4SLC6A3KIF11 | |
| SCHEMBL24499138 | 0.85 | TRPV1 (0.46) | HAO1SLC6A2SLC6A4SLC6A3KIF11 | |
| SCHEMBL4704621 | 0.85 | KIF11 (0.64) | HAO1SLC6A2SLC6A4SLC6A3KIF11 | |
| SCHEMBL7943862 | 0.85 | HAO1 (0.50) | HAO1SLC6A2SLC6A4SLC6A3KIF11 | |
| SCHEMBL5685625 | 0.84 | HAO1 (0.44) | HAO1SLC6A2SLC6A4SLC6A3KIF11 | |
| SCHEMBL10031897 | 0.84 | AHR (0.55) | HAO1FBP1 |
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-116940551-A | Method for producing aryl compound containing pentafluorothio group | ＡＧＣ株式会社 | 2023-10-24 | — | — | CN | disclosed |