Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Albuterol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 9/20 | 0.87 |
| ▸ | PMP22 | Q01453 | 1/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.87 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.87 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.87 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.87 |
| ▸ | TSHR | P16473 | 1/20 | 0.87 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.87 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.85 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | CASP7 | P55210 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Albuterol SCHEMBL3635442 | 1.00 | PMP22 (1.00) | PMP22ADRB2HIF1AADRB1CYP1A2 | |
| Albuterol SCHEMBL33280 | 1.00 | PMP22 (1.00) | PMP22ADRB2HIF1AADRB1CYP1A2 | |
| Albuterol SCHEMBL29372778 | 1.00 | PMP22 (1.00) | PMP22ADRB2HIF1AADRB1CYP1A2 | |
| Albuterol SCHEMBL33279 | 1.00 | PMP22 (1.00) | PMP22ADRB2HIF1AADRB1CYP1A2 | |
| Levosalbutamol SCHEMBL29568212 | 1.00 | PMP22 (1.00) | PMP22ADRB2HIF1AADRB1CYP1A2 | |
| Albuterol SCHEMBL6861017 | 1.00 | PMP22 (1.00) | PMP22ADRB2HIF1AADRB1CYP1A2 | |
| Levosalbutamol SCHEMBL33281 | 1.00 | PMP22 (1.00) | PMP22ADRB2HIF1AADRB1CYP1A2 | |
| Albuterol SCHEMBL2556890 | 1.00 | PMP22 (1.00) | PMP22ADRB2HIF1AADRB1CYP1A2 | |
| Albuterol SCHEMBL15995296 | 0.99 | PMP22 (0.97) | PMP22ADRB2HIF1AADRB1CYP1A2 | |
| Albuterol SCHEMBL5472402 | 0.99 | PMP22 (0.97) | PMP22ADRB2HIF1AADRB1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110212090-A1 | Combinatorial Analysis and Repair | DAKO DENMARK A/S | 2011-09-01 | — | — | US | disclosed |