Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 6/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL997033 | 1.00 | KEAP1 (0.56) | KEAP1NFE2L2HTR2AHTR2CHTR2B | |
| SCHEMBL997477 | 0.87 | MAOB (0.56) | MAOBHRH3BCHEACHE | |
| SCHEMBL997479 | 0.87 | MAOB (0.56) | MAOBHRH3BCHEACHE | |
| SCHEMBL996167 | 0.83 | SMN1; SMN2 (0.46) | MAOBABCG2HPGDKDM4EHRH3 | |
| SCHEMBL996635 | 0.83 | MAOB (0.46) | MAOBABCG2KDM4EPOLB | |
| SCHEMBL996637 | 0.83 | MAOB (0.46) | MAOBABCG2KDM4EPOLB | |
| SCHEMBL996166 | 0.83 | SMN1; SMN2 (0.46) | MAOBABCG2HPGDKDM4EHRH3 | |
| Hydrochloric Acid SCHEMBL999098 | 0.82 | SMN1; SMN2 (0.46) | KEAP1NFE2L2MAOBABCG2HPGD | |
| Hydrochloric Acid SCHEMBL999096 | 0.82 | SMN1; SMN2 (0.46) | KEAP1NFE2L2MAOBABCG2HPGD | |
| SCHEMBL996162 | 0.82 | MAOB (0.56) | MAOBKDM4EHRH3CYP3A4CYP2C19 |
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-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | claimed |
| WO-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |