Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 7/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL27514288 | 0.85 | KCNA5 (0.37) | TSHRKCNA5KCNH2KCNE1CYP2D6 | |
| SCHEMBL14242098 | 0.71 | AHR (0.44) | TSHRKCNA5KCNH2KCNE1CYP2D6 | |
| SCHEMBL3126216 | 0.70 | TSHR (0.36) | TSHRKCNA5KCNH2KCNE1CYP2D6 | |
| SCHEMBL22961730 | 0.70 | KCNA5 (0.44) | TSHRKCNA5KCNH2KCNE1CYP2D6 | |
| SCHEMBL29520435 | 0.69 | TSHR (0.62) | TSHRKCNA5KCNH2KCNE1CYP2D6 | |
| SCHEMBL65284 | 0.69 | TSHR (0.62) | TSHRKCNA5KCNH2KCNE1CYP2D6 | |
| SCHEMBL20385438 | 0.68 | KCNA5 (0.40) | TSHRKCNA5KCNH2KCNE1CYP2D6 | |
| SCHEMBL10348301 | 0.67 | SIGMAR1 (0.37) | ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL23673302 | 0.65 | — | — | |
| SCHEMBL3910230 | 0.65 | TSHR (0.62) | TSHRKCNA5KCNH2KCNE1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3500624-A1 | CROSS-LINKING AGENT COMPOSITION FOR ELASTOMERS | ElringKlinger AG (DE) | 2019-06-26 | — | — | EP | disclosed |