Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ZDHHC20 | Q5W0Z9 | 2/20 | 0.42 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11883049 | 0.91 | CA12 (0.50) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL8059664 | 0.91 | CA12 (0.59) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL14244845 | 0.91 | CA12 (0.50) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL14245075 | 0.91 | CA12 (0.50) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL11589764 | 0.91 | CA12 (0.50) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL1920702 | 0.91 | CA12 (0.50) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL8681098 | 0.91 | CA12 (0.50) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL1920829 | 0.91 | CA12 (0.50) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL8627810 | 0.91 | CA12 (0.50) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL7380412 | 0.89 | CA12 (0.48) | MGLLCA12CA1CA9CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4339455-A | 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1982-07-13 | — | — | US | disclosed |
| US-4189486-A | FUNGICIDES | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1980-02-19 | — | — | US | disclosed |