Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isoetharine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 7/20 | 0.97 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.97 |
| ▸ | MAPT | P10636 | 7/20 | 0.97 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.97 |
| ▸ | TSHR | P16473 | 5/20 | 0.97 |
| ▸ | LMNA | P02545 | 5/20 | 0.97 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.97 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.97 |
| ▸ | GAA | P10253 | 3/20 | 0.97 |
| ▸ | BLM | P54132 | 3/20 | 0.97 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.97 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.97 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.97 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.97 |
| ▸ | THPO | P40225 | 2/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.97 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.97 |
| ▸ | HTT | P42858 | 1/20 | 0.97 |
| ▸ | TP53 | P04637 | 1/20 | 0.97 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.84 |
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 | |
|---|---|---|---|---|
| Isoetharine SCHEMBL2407556 | 0.99 | KDM4E (1.00) | KDM4EADRB2MAPTHIF1ATSHR | |
| Isoetharine SCHEMBL29380912 | 0.99 | KDM4E (1.00) | KDM4EADRB2MAPTHIF1ATSHR | |
| Isoetharine SCHEMBL212005 | 0.99 | KDM4E (1.00) | KDM4EADRB2MAPTHIF1ATSHR | |
| Isoetharine SCHEMBL211343 | 0.93 | ADRB2 (0.97) | KDM4EADRB2MAPTHIF1ATSHR | |
| Isoetharine SCHEMBL29515330 | 0.92 | ADRB2 (1.00) | KDM4EADRB2MAPTHIF1ATSHR | |
| Isoetharine SCHEMBL56515 | 0.92 | ADRB2 (1.00) | KDM4EADRB2MAPTHIF1ATSHR | |
| Isoetharine SCHEMBL3218412 | 0.92 | ADRB2 (1.00) | KDM4EADRB2MAPTHIF1ATSHR | |
| Isoetharine SCHEMBL56516 | 0.92 | ADRB2 (1.00) | KDM4EADRB2MAPTHIF1ATSHR | |
| Isoetharine SCHEMBL21252711 | 0.92 | ADRB2 (1.00) | KDM4EADRB2MAPTHIF1ATSHR | |
| Isoetharine SCHEMBL3225540 | 0.92 | ADRB2 (1.00) | KDM4EADRB2MAPTHIF1ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2117524-A1 | USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS | National Research Council of Canada (CA) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008092257-A1 | USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2008-08-07 | — | — | WO | disclosed |