Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CUL4A | Q13619 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | F9 | P00740 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL996953 | 0.78 | CA9 (0.55) | CUL4ACA9KDM4EALDH1A1HPGD | |
| SCHEMBL29184842 | 0.72 | CYP3A4 (0.58) | KDM4EALDH1A1GAAMAPTTSHR | |
| SCHEMBL997203 | 0.72 | CA9 (0.51) | CUL4ACA9KDM4EALDH1A1HPGD | |
| SCHEMBL4269174 | 0.71 | GAA (0.53) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL996615 | 0.70 | CA9 (0.50) | CUL4ACA9KDM4EALDH1A1HPGD | |
| SCHEMBL1997089 | 0.70 | PTGDR2 (0.69) | KDM4EALDH1A1HPGDMAPTMAPK1 | |
| SCHEMBL13968771 | 0.70 | GAA (0.49) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL2013386 | 0.70 | HPGD (0.56) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL4051742 | 0.69 | ALDH1A1 (0.52) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL15571494 | 0.69 | CUL4A (1.00) | CUL4AKDM4EALDH1A1HPGDHSD17B10 |
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-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |