Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.57 |
| ▸ | CA9 | Q16790 | 5/20 | 0.57 |
| ▸ | CA1 | P00915 | 3/20 | 0.57 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA3 | P07451 | 2/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA5A | P35218 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CA6 | P23280 | 1/20 | 0.57 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Coumarin SCHEMBL3632884 | 0.91 | CA12 (0.48) | CA12CA9CA1MCL1CA2 | |
| Coumarin SCHEMBL28474090 | 0.78 | CA12 (0.87) | CA12CA9CA1MCL1CA2 | |
| Coumarin SCHEMBL28593449 | 0.78 | CA12 (0.87) | CA12CA9CA1MCL1CA2 | |
| Coumarin SCHEMBL27960284 | 0.78 | CA12 (0.95) | CA12CA9CA1MCL1CA2 | |
| SCHEMBL28007596 | 0.78 | ITGB2 (0.52) | LMNACLK1DYRK1ADYRK1BCTNNB1 | |
| SCHEMBL5313090 | 0.78 | ITGB2 (0.52) | LMNACLK1DYRK1ADYRK1BCTNNB1 | |
| SCHEMBL29356442 | 0.78 | ITGB2 (0.52) | LMNACLK1DYRK1ADYRK1BCTNNB1 | |
| SCHEMBL8447 | 0.78 | ITGB2 (0.52) | LMNACLK1DYRK1ADYRK1BCTNNB1 | |
| Fluoride SCHEMBL28202465 | 0.78 | ITGB2 (0.52) | LMNACLK1DYRK1ADYRK1BCTNNB1 | |
| Formaldehyde SCHEMBL27348632 | 0.76 | CTNNB1 (0.46) | LMNACLK1DYRK1ADYRK1BCTNNB1 |
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-2010082912-A1 | DERIVATIVES OF MULTI-RING AROMATIC COMPOUNDS AND USES AS ANTI-TUMOR AGENTS | AVALON PHARMACEUTICALS (US) | 2010-07-22 | — | — | WO | disclosed |
| WO-2005016264-A2 | DIAMINE DERIVATIVES OF QUINONE AND USES THEREOF | AVALON PHARMACEUTICALS (US) | 2005-02-24 | — | — | WO | disclosed |