Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL14999216 | 0.83 | THRB (0.58) | THRBTSHRALDH1A1POLBAPEX1 | |
| Propane SCHEMBL11405097 | 0.80 | THRB (0.75) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL15636 | 0.79 | THRB (0.74) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL6142874 | 0.79 | THRB (0.74) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL4908328 | 0.79 | THRB (0.57) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL2921354 | 0.78 | THRB (0.52) | THRBTSHRALDH1A1POLBAPEX1 | |
| Trimethylammonium SCHEMBL28556159 | 0.78 | THRB (0.65) | THRBTSHRALDH1A1POLBAPEX1 | |
| Butane SCHEMBL1244632 | 0.78 | THRB (0.72) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL10082702 | 0.77 | THRB (0.51) | THRBTSHRALDH1A1POLBAPEX1 | |
| Ethylene SCHEMBL955493 | 0.77 | THRB (0.71) | THRBTSHRALDH1A1POLBAPEX1 |
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-0555628-A2 | Process for preparing isocyanates | NIPPON SHOKUBAI CO., LTD. (JP) | 1993-08-18 | — | — | EP | disclosed |