Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL217938 | 0.71 | ALDH1A1 (0.57) | TP53TDP1ALDH1A1TSHRHDAC8 | |
| SCHEMBL181488 | 0.71 | TP53 (0.56) | TP53TDP1ALDH1A1TSHRHDAC8 | |
| SCHEMBL7082497 | 0.71 | TP53 (0.56) | TP53TDP1ALDH1A1TSHRHDAC8 | |
| SCHEMBL5125916 | 0.70 | — | — | |
| Hydrogen Sulfide SCHEMBL29004367 | 0.69 | TP53 (0.54) | TP53TDP1ALDH1A1TSHRHDAC8 | |
| SCHEMBL3844845 | 0.69 | ALDH1A1 (0.40) | TP53TDP1ALDH1A1TSHRHDAC8 | |
| SCHEMBL1611888 | 0.69 | TP53 (0.42) | TP53TDP1ALDH1A1TSHRHDAC8 | |
| SCHEMBL9879175 | 0.67 | ALDH1A1 (0.39) | TP53ALDH1A1TSHR | |
| SCHEMBL15334101 | 0.67 | TP53 (0.32) | TP53TDP1 | |
| SCHEMBL718616 | 0.67 | TP53 (0.41) | TP53TDP1ALDH1A1TSHRHDAC8 |
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-103003239-A | Spiroheterocyclic pyrrolidine derivatives based pesticides | SYNGENTA PARTICIPATIONS AG | 2013-03-27 | — | — | CN | disclosed |