Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rafabegron. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 known ✓ | P13945 | 20/20 | 1.00 |
| ▸ | ADRB1 | P08588 | 12/20 | 1.00 |
| ▸ | ADRB2 | P07550 | 9/20 | 1.00 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Rafabegron SCHEMBL7606623 | 1.00 | ADRB3 (1.00) | ADRB3ADRB1ADRB2ADRA1DADRA1A | |
| Rafabegron SCHEMBL3694097 | 1.00 | ADRB3 (1.00) | ADRB3ADRB1ADRB2ADRA1DADRA1A | |
| Rafabegron SCHEMBL29361441 | 1.00 | ADRB3 (1.00) | ADRB3ADRB1ADRB2ADRA1DADRA1A | |
| Rafabegron SCHEMBL6910797 | 1.00 | ADRB3 (1.00) | ADRB3ADRB1ADRB2ADRA1DADRA1A | |
| Rafabegron SCHEMBL678589 | 1.00 | ADRB3 (1.00) | ADRB3ADRB1ADRB2ADRA1DADRA1A | |
| SCHEMBL7865755 | 0.92 | ADRB3 (1.00) | ADRB3ADRB1ADRB2 | |
| SCHEMBL6906032 | 0.92 | ADRB3 (1.00) | ADRB3ADRB1ADRB2 | |
| SCHEMBL7593273 | 0.89 | ADRB3 (0.80) | ADRB3ADRB1ADRB2 | |
| SCHEMBL6911229 | 0.89 | ADRB3 (1.00) | ADRB3ADRB1ADRB2 | |
| SCHEMBL7870408 | 0.89 | ADRB3 (1.00) | ADRB3ADRB1ADRB2 |
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-0801059-B1 | INDOLE DERIVATIVE | DAINIPPON PHARMACEUTICAL CO (JP) | 2001-06-27 | — | — | EP | disclosed |
| EP-0801059-A1 | INDOLE DERIVATIVE | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1997-10-15 | — | — | EP | disclosed |