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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 11/20 | 0.70 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.67 |
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 SCHEMBL3133773 | 0.96 | PMP22 (0.74) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Albuterol SCHEMBL17511151 | 0.90 | PMP22 (0.66) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Levosalbutamol SCHEMBL29394399 | 0.85 | ADRB2 (0.82) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Levosalbutamol SCHEMBL31301062 | 0.85 | ADRB2 (0.82) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Albuterol SCHEMBL4434233 | 0.85 | ADRB2 (0.82) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Levosalbutamol SCHEMBL1247104 | 0.85 | ADRB2 (0.82) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Albuterol SCHEMBL6838948 | 0.85 | ADRB2 (0.87) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Albuterol SCHEMBL4913 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Albuterol SCHEMBL122805 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Albuterol SCHEMBL121596 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1CYP1A2CYP2D6TSHR |
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-1069887-A1 | AEROSOL COMPOSITION | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999051205-A1 | AEROSOL COMPOSITION | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 1999-10-14 | — | — | WO | disclosed |