Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Xamoterol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 18/20 | 0.89 |
| ▸ | ADRB2 | P07550 | 7/20 | 1.00 |
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | BLM | P54132 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 1/20 | 1.00 |
| ▸ | ADRB3 | P13945 | 17/20 | 0.89 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.89 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.89 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.89 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.89 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.89 |
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 | |
|---|---|---|---|---|
| Xamoterol SCHEMBL122201 | 1.00 | ADRB2 (1.00) | ADRB2LMNAMEN1MAPTBLM | |
| Xamoterol SCHEMBL3695282 | 1.00 | ADRB2 (1.00) | ADRB2LMNAMEN1MAPTBLM | |
| Xamoterol SCHEMBL1651584 | 1.00 | ADRB2 (1.00) | ADRB2LMNAMEN1MAPTBLM | |
| Xamoterol SCHEMBL64461 | 0.94 | ADRB1 (1.00) | ADRB2LMNAMEN1MAPTBLM | |
| Xamoterol SCHEMBL30897538 | 0.94 | ADRB1 (1.00) | ADRB2LMNAMEN1MAPTBLM | |
| Xamoterol SCHEMBL11533496 | 0.94 | ADRB1 (1.00) | ADRB2LMNAMEN1MAPTBLM | |
| Xamoterol SCHEMBL3702016 | 0.93 | ADRB1 (0.98) | ADRB2LMNAMEN1MAPTBLM | |
| Xamoterol SCHEMBL3697718 | 0.93 | ADRB1 (0.98) | ADRB2LMNAMEN1MAPTBLM | |
| SCHEMBL7430192 | 0.88 | ADRB2 (0.78) | ADRB2LMNAMEN1MAPTBLM | |
| SCHEMBL17028387 | 0.85 | ADRB1 (0.80) | ADRB2LMNAMEN1MAPTBLM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0307115-A1 | Phenol esters | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-03-15 | — | — | EP | disclosed |