Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | ULK1 | O75385 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1068230 | 0.85 | SLC22A12 (0.36) | SLC22A12ULK1TRPA1 | |
| SCHEMBL3690853 | 0.84 | SLC22A12 (0.30) | SLC22A12 | |
| SCHEMBL900766 | 0.78 | DRD1 (0.30) | — | |
| SCHEMBL1067980 | 0.77 | AR (0.36) | TRPA1 | |
| SCHEMBL1066938 | 0.77 | HSD11B1 (0.33) | TRPA1 | |
| SCHEMBL1069181 | 0.76 | — | — | |
| SCHEMBL1068429 | 0.76 | — | — | |
| SCHEMBL900876 | 0.76 | KMT2A (0.34) | — | |
| SCHEMBL1066799 | 0.75 | PDE2A (0.33) | — | |
| SCHEMBL27642917 | 0.74 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010149758-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-29 | — | — | WO | disclosed |