Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | KISS1R | Q969F8 | 3/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
| ▸ | DNPEP | Q9ULA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL6494570 | 1.00 | CA1 (0.40) | CA1ALDH1A1TDP1SLC1A3SLC1A2 | |
| SCHEMBL1296220 | 1.00 | CA1 (0.40) | CA1ALDH1A1TDP1SLC1A3SLC1A2 | |
| SCHEMBL17378384 | 0.88 | TET2 (0.35) | ALDH1A1TDP1TP53 | |
| SCHEMBL1782723 | 0.84 | LMNA (0.42) | CA1ALDH1A1TDP1KISS1RBLM | |
| SCHEMBL1782054 | 0.84 | BLM (0.45) | CA1ALDH1A1TDP1KISS1RBLM | |
| SCHEMBL1787012 | 0.82 | GPR84 (0.45) | CA1ALDH1A1TDP1KISS1RBLM | |
| Acetic Acid SCHEMBL11131012 | 0.80 | SLC1A3 (0.35) | CA1ALDH1A1TDP1SLC1A3SLC1A2 | |
| SCHEMBL1782828 | 0.80 | KISS1R (0.37) | CA1ALDH1A1TDP1KISS1RANPEP | |
| SCHEMBL1785002 | 0.80 | SLC1A3 (0.35) | CA1ALDH1A1TDP1SLC1A3SLC1A2 | |
| SCHEMBL1782022 | 0.79 | ALDH1A1 (0.31) | ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6867333-B2 | EPOTHILONE SYNTHESIS BUILDING BLOCKS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHODS FOR THEIR PRODUCTION AND METHODS FOR THE PRODUCTION OF EPOTHILONES B, D AND EPOTHILONE DERIVATIVES | MORPHOCHEM AG (DE) | 2005-03-15 | — | — | US | disclosed |