Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Salmeterol. 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 | 19/20 | 0.98 |
| ▸ | ADRB1 | P08588 | 18/20 | 0.98 |
| ▸ | ADRB3 | P13945 | 17/20 | 0.98 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.98 |
| ▸ | MEN1 | O00255 | 2/20 | 0.98 |
| ▸ | TP53 | P04637 | 2/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.98 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.98 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.98 |
| ▸ | HTR1A | P08908 | 1/20 | 0.98 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.98 |
| ▸ | DRD2 | P14416 | 1/20 | 0.98 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.98 |
| ▸ | DRD4 | P21917 | 1/20 | 0.98 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.98 |
| ▸ | FPR3 | P25089 | 1/20 | 0.98 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.98 |
| ▸ | HTR1D | P28221 | 1/20 | 0.98 |
| ▸ | HTR1B | P28222 | 1/20 | 0.98 |
| ▸ | HTR2A | P28223 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Salmeterol SCHEMBL4768 | 0.99 | ADRB2 (1.00) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| Salmeterol SCHEMBL29397921 | 0.99 | ADRB2 (1.00) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| Salmeterol SCHEMBL4452108 | 0.99 | ADRB2 (1.00) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| Salmeterol SCHEMBL29393289 | 0.99 | ADRB2 (1.00) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL4450046 | 0.99 | ADRB2 (1.00) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| Salmeterol SCHEMBL4767 | 0.99 | ADRB2 (1.00) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| Salmeterol SCHEMBL7176067 | 0.98 | ADRB2 (0.98) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| Salmeterol SCHEMBL29266779 | 0.98 | ADRB2 (0.98) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| Salmeterol SCHEMBL6152211 | 0.97 | ADRB2 (0.96) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL4454918 | 0.97 | ADRB2 (0.96) | ADRB2ADRB1ADRB3KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115190878-A | Crystalline hydrates of JAK inhibitor compounds | 施万生物制药研发IP有限责任公司 | 2022-10-14 | — | — | CN | disclosed |