Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | LAP3 | P28838 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16388297 | 0.78 | — | — | |
| SCHEMBL14288629 | 0.78 | — | — | |
| SCHEMBL13397307 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29045280 | 0.75 | ALDH1A1 (0.52) | TDP1ALDH1A1SLC7A5GRIK1GRIK2 | |
| SCHEMBL12447513 | 0.75 | — | — | |
| SCHEMBL14929004 | 0.75 | — | — | |
| SCHEMBL12189493 | 0.73 | — | — | |
| Acetic Acid SCHEMBL2859784 | 0.71 | TDP1 (0.42) | TDP1ALDH1A1SLC7A5GRIK1SLC1A3 | |
| Acetic Acid SCHEMBL6685363 | 0.71 | TDP1 (0.42) | TDP1ALDH1A1SLC7A5GRIK1SLC1A3 | |
| SCHEMBL14889586 | 0.70 | — | — |
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-2020022892-A1 | TUBULYSIN DERIVATIVES AND METHODS FOR PREPARING THE SAME | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-01-30 | — | — | WO | disclosed |