Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.68 |
| ▸ | CA9 | Q16790 | 1/20 | 0.68 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.52 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | FKBP4 | Q02790 | 3/20 | 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 | |
|---|---|---|---|---|
| Cyclohexanone SCHEMBL9561320 | 0.98 | CA1 (0.71) | CA1CA9TRIM24TRIM33ALDH1A1 | |
| SCHEMBL2562226 | 0.98 | CA1 (0.71) | CA1CA9TRIM24TRIM33ALDH1A1 | |
| SCHEMBL2348331 | 0.98 | CA1 (0.71) | CA1CA9TRIM24TRIM33ALDH1A1 | |
| SCHEMBL3324936 | 0.95 | CA1 (0.75) | CA1CA9TRIM24TRIM33ALDH1A1 | |
| Cyclopentanone SCHEMBL3628580 | 0.95 | CA1 (0.75) | CA1CA9TRIM24TRIM33ALDH1A1 | |
| SCHEMBL15141411 | 0.93 | CA1 (0.80) | CA1CA9TRIM24TRIM33ALDH1A1 | |
| SCHEMBL13317121 | 0.93 | CA1 (0.80) | CA1CA9TRIM24TRIM33ALDH1A1 | |
| Cyclohexanone SCHEMBL2324675 | 0.93 | CA1 (0.80) | CA1CA9TRIM24TRIM33ALDH1A1 | |
| SCHEMBL17515063 | 0.93 | CA1 (0.80) | CA1CA9TRIM24TRIM33ALDH1A1 | |
| SCHEMBL5243566 | 0.93 | CA1 (0.80) | CA1CA9TRIM24TRIM33ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1392664-A4 | EPOTHILONE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2005-01-26 | — | — | EP | disclosed |
| EP-1392664-A1 | EPOTHILONE DERIVATIVES | Bristol-Myers Squibb Company (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002098868-A1 | EPOTHILONE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-12-12 | — | — | WO | disclosed |