Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL272769 | 0.91 | — | — | |
| SCHEMBL30560059 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL28088448 | 0.89 | — | — | |
| Phosphoric Acid SCHEMBL1012536 | 0.82 | TSHR (0.36) | TSHRCA1CA2CA7MEN1 | |
| Vinyl Ether SCHEMBL28116801 | 0.82 | TSHR (0.36) | TSHRCA1CA2CA7MEN1 | |
| Sulfuric Acid SCHEMBL4457624 | 0.80 | TSHR (0.34) | TSHRCA1CA2CA7MEN1 | |
| Sulfuric Acid SCHEMBL28098278 | 0.80 | TSHR (0.34) | TSHRCA1CA2CA7MEN1 | |
| Phosphoric Acid SCHEMBL28117055 | 0.80 | TSHR (0.34) | TSHRMEN1KMT2A | |
| Ether SCHEMBL7157288 | 0.79 | CA1 (0.35) | TSHRCA1CA2CA7MEN1 | |
| Sulfuric Acid SCHEMBL4457625 | 0.79 | TSHR (0.33) | TSHRCA1CA2CA7MEN1 |
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-106187713-A | Alkylbenzene methanol polyoxyethylene ether hydroxypropyl allyl ether and derivant and preparation method thereof | 南通市晗泰化工有限公司 | 2016-12-07 | — | — | CN | claimed |