Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.37 |
| ▸ | PGK2 | P07205 | 1/20 | 0.37 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3255153 | 0.89 | PGK1 (0.44) | PGK1PGK2SLC11A2CYP3A4TSHR | |
| SCHEMBL11217789 | 0.83 | CYP3A4 (0.35) | PGK1PGK2SLC11A2CYP3A4TSHR | |
| SCHEMBL7702374 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL13306021 | 0.78 | PGK1 (0.38) | PGK1PGK2SLC11A2 | |
| SCHEMBL29126141 | 0.78 | CA1 (0.39) | PGK1PGK2SLC11A2CYP3A4TSHR | |
| SCHEMBL28337198 | 0.78 | CYP3A4 (0.39) | PGK1PGK2SLC11A2CYP3A4TSHR | |
| SCHEMBL9628918 | 0.76 | PGK1 (0.38) | PGK1PGK2SLC11A2 | |
| SCHEMBL11169920 | 0.75 | MEN1 (0.43) | CYP3A4TSHR | |
| SCHEMBL25949747 | 0.75 | EZH2 (0.31) | — | |
| SCHEMBL5351167 | 0.74 | PGK1 (0.41) | PGK1PGK2SLC11A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001081281-A2 | METHOD FOR PRODUCING 2,3,4,6-TETRAMETHYLBENZYL HALIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-11-01 | — | — | WO | disclosed |