Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Dichloropropane SCHEMBL9614309 | 0.87 | TSHR (0.50) | TSHRTDP1ALDH1A1 | |
| Butyl Chloride SCHEMBL11821096 | 0.87 | — | — | |
| Butyl Chloride SCHEMBL7740404 | 0.85 | TSHR (0.65) | TSHRTDP1ALDH1A1LMNATHRB | |
| Butyl Chloride SCHEMBL11342425 | 0.84 | — | — | |
| Hexane SCHEMBL8668027 | 0.83 | TSHR (0.50) | TSHRTDP1ALDH1A1LMNATHRB | |
| Butyl Chloride SCHEMBL421 | 0.83 | — | — | |
| Butyl Chloride SCHEMBL788825 | 0.83 | TSHR (1.00) | TSHRTDP1ALDH1A1LMNATHRB | |
| Butyl Chloride SCHEMBL3694160 | 0.83 | — | — | |
| Butyl Chloride SCHEMBL6233300 | 0.79 | — | — | |
| Butyl Chloride SCHEMBL9161978 | 0.79 | — | — |
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-109721472-A | To the method separated containing β-halohydrin product liquid | 中国石油化工股份有限公司 | 2019-05-07 | — | — | CN | disclosed |