Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.64 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.64 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.64 |
| ▸ | ABCG2 | Q9UNQ0 | 9/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | FLT3 | P36888 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL997864 | 1.00 | PDE4A (0.64) | PDE4APDE4BPDE4CPDE4DABCG2 | |
| SCHEMBL996198 | 0.95 | PDE4A (0.64) | PDE4APDE4BPDE4CPDE4DABCG2 | |
| SCHEMBL996200 | 0.95 | PDE4A (0.64) | PDE4APDE4BPDE4CPDE4DABCG2 | |
| SCHEMBL997364 | 0.87 | ABCG2 (0.67) | PDE4APDE4BPDE4CPDE4DABCG2 | |
| SCHEMBL997363 | 0.87 | ABCG2 (0.67) | PDE4APDE4BPDE4CPDE4DABCG2 | |
| SCHEMBL996825 | 0.86 | ABCG2 (0.64) | ABCG2MAOBMAPTALDH1A1HPGD | |
| SCHEMBL996824 | 0.86 | ABCG2 (0.64) | ABCG2MAOBMAPTALDH1A1HPGD | |
| SCHEMBL997194 | 0.86 | MAPT (0.62) | ABCG2MEN1KMT2AMAOBMAPT | |
| SCHEMBL997192 | 0.86 | MAPT (0.62) | ABCG2MEN1KMT2AMAOBMAPT | |
| SCHEMBL995788 | 0.83 | ABCB1 (0.51) | ABCG2MEN1KMT2AMAOBMAPT |
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 |