Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | CACNA1F | O60840 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28518519 | 0.89 | PTGS2 (0.37) | TRPA1TSHRALDH1A1MAPTCTSS | |
| SCHEMBL28322936 | 0.82 | ALDH1A1 (0.34) | ALDH1A1MAPTNPC1POLBRAB9A | |
| SCHEMBL28527075 | 0.80 | ALDH1A1 (0.41) | TSHRALDH1A1POLBGAAAOC3 | |
| SCHEMBL1570170 | 0.80 | TSHR (0.42) | TRPA1TSHRALDH1A1MAPTAKR1C3 | |
| SCHEMBL28322045 | 0.79 | GAA (0.39) | TSHRALDH1A1MAPTGAAKDM4E | |
| SCHEMBL9493266 | 0.77 | TSHR (0.46) | TRPA1TSHRALDH1A1MAPTAKR1C3 | |
| SCHEMBL28515424 | 0.76 | TSHR (0.50) | TRPA1TSHRALDH1A1MAPTAKR1C3 | |
| SCHEMBL28322041 | 0.76 | ESR1 (0.38) | TSHRALDH1A1MAPTPRSS1CTSG | |
| SCHEMBL28321981 | 0.74 | HTT (0.33) | HTT | |
| SCHEMBL28929083 | 0.72 | TSHR (0.46) | TRPA1TSHRALDH1A1MAPTAKR1C3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110240554-B | Alpha-thioether aryl acetonitrile compound and synthetic method thereof | 上海大学 | 2021-02-23 | — | — | CN | disclosed |
| CN-110240554-A | α-thioether aryl acetonitrile compound and its synthetic method | 上海大学 | 2019-09-17 | — | — | CN | disclosed |