Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 2/20 | 0.37 |
| ▸ | LDHB | P07195 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL21192823 | 0.83 | P2RX7 (0.41) | P2RX7HSD11B1TYK2LDHALDHB | |
| SCHEMBL10976334 | 0.83 | P2RX7 (0.37) | P2RX7HSD11B1TYK2LDHALDHB | |
| SCHEMBL33745024 | 0.79 | P2RX7 (0.38) | P2RX7HSD11B1TYK2PTGS2L3MBTL1 | |
| SCHEMBL29115452 | 0.79 | SLC22A12 (0.39) | P2RX7HSD11B1TYK2LDHALDHB | |
| SCHEMBL28975161 | 0.79 | P2RX7 (0.38) | P2RX7HSD11B1TYK2PTGS2L3MBTL1 | |
| SCHEMBL28918923 | 0.76 | HSD11B1 (0.37) | P2RX7HSD11B1PTGS2KDM4ESMN1; SMN2 | |
| SCHEMBL28715207 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP2A6ALDH1A1MEN1KMT2A | |
| SCHEMBL29764291 | 0.75 | P2RX7 (0.52) | P2RX7HSD11B1TYK2PTGS2KDM4E | |
| SCHEMBL312929 | 0.75 | P2RX7 (0.52) | P2RX7HSD11B1TYK2PTGS2KDM4E | |
| SCHEMBL28918938 | 0.74 | HSD11B1 (0.38) | P2RX7HSD11B1SMN1; SMN2L3MBTL1AR |
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-115490622-A | Trifluoromethyl thiophenol compound | 上海泰初化工技术有限公司 | 2022-12-20 | — | — | CN | disclosed |