Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Oleic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 11/20 | 0.62 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
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 SCHEMBL7778379 | 0.94 | ADRB2 (0.70) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Stearic Acid SCHEMBL5145217 | 0.94 | ADRB2 (0.70) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Albuterol SCHEMBL6264324 | 0.90 | ADRB2 (0.65) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Stearic Acid SCHEMBL518159 | 0.90 | PMP22 (0.73) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Stearic Acid SCHEMBL518158 | 0.81 | PMP22 (0.72) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Albuterol SCHEMBL6838948 | 0.80 | ADRB2 (0.87) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL6264326 | 0.79 | ADRB2 (0.51) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Albuterol SCHEMBL121596 | 0.79 | ADRB2 (1.00) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Albuterol SCHEMBL4913 | 0.79 | ADRB2 (1.00) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| (S)-Albuterol SCHEMBL5881204 | 0.79 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113171359-B | Chuangbuterol transdermal patch and preparation method thereof | 沈阳药科大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-113171359-A | Chuangbuterol transdermal patch and preparation method thereof | 沈阳药科大学 | 2021-07-27 | — | — | CN | disclosed |
| EP-1588698-A2 | A process for the production and screening of materials for use in pharmaceutical aerosol formulations | Thompson, James Anthony (GB) | 2005-10-26 | — | — | EP | disclosed |