Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL28633238 | 0.88 | ALDH1A1 (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL28041774 | 0.86 | TSHR (0.37) | TSHRTDP1ALDH1A1 | |
| Methylene Chloride SCHEMBL5481886 | 0.85 | ALDH1A1 (0.31) | TSHRTDP1ALDH1A1 | |
| Propane SCHEMBL1683354 | 0.84 | TSHR (0.36) | TSHRTDP1ALDH1A1 | |
| 1,2-Dichloroethane SCHEMBL15156482 | 0.81 | ALDH1A1 (0.36) | TSHRALDH1A1 | |
| Butane SCHEMBL3799640 | 0.80 | TSHR (0.33) | TSHRTDP1ALDH1A1 | |
| SCHEMBL28365346 | 0.78 | ALDH1A1 (0.46) | TSHRTDP1ALDH1A1 | |
| SCHEMBL8913 | 0.78 | — | — | |
| Ethylamine SCHEMBL7707770 | 0.77 | CYP2D6 (0.35) | TSHRTDP1ALDH1A1 | |
| Alcohol SCHEMBL9655363 | 0.77 | TSHR (0.46) | TSHRTDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4434032-A | Process for making symmetrical alkanediols and the bis-ethers thereof | BATTELLE DEVELOPMENT CORPORATION (US) | 1984-02-28 | — | — | US | disclosed |