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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 11/20 | 0.64 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GGT1 | P19440 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4632760 | 0.85 | ADRB2 (0.52) | ADRB2ADRB1TSHRCYP1A2CYP2D6 | |
| Albuterol SCHEMBL6838948 | 0.83 | ADRB2 (0.87) | ADRB2ADRB1TSHRCYP1A2CYP2D6 | |
| Albuterol SCHEMBL28150913 | 0.82 | ADRB2 (0.77) | ADRB2ADRB1TSHRCYP1A2CYP2D6 | |
| Dextrothyroxine SCHEMBL4633728 | 0.82 | THRB (0.45) | ADRB2ADRB1TSHRCYP1A2CYP2D6 | |
| Albuterol SCHEMBL8936158 | 0.81 | ADRB2 (0.73) | ADRB2ADRB1TSHRCYP1A2CYP2D6 | |
| Albuterol SCHEMBL28258541 | 0.80 | ADRB2 (0.94) | ADRB2ADRB1TSHRCYP1A2CYP2D6 | |
| Albuterol SCHEMBL122805 | 0.80 | ADRB2 (1.00) | ADRB2ADRB1TSHRCYP1A2CYP2D6 | |
| Albuterol SCHEMBL4913 | 0.80 | ADRB2 (1.00) | ADRB2ADRB1TSHRCYP1A2CYP2D6 | |
| Albuterol SCHEMBL2489838 | 0.80 | ADRB2 (1.00) | ADRB2ADRB1TSHRCYP1A2CYP2D6 | |
| Albuterol SCHEMBL121596 | 0.80 | ADRB2 (1.00) | ADRB2ADRB1TSHRCYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1494711-A4 | METHODS FOR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) | ABGENIX INC (US) | 2008-05-28 | — | — | EP | disclosed |
| EP-1494711-A1 | METHODS FOR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) | Abgenix, Inc. (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003080117-A1 | METHODS FOR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) | ABGENIX, INC. (US) | 2003-10-02 | — | — | WO | disclosed |