Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | PDE2A | O00408 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13877362 | 1.00 | ADRB2 (0.48) | ADRB2ESR2PDE2AALDH1A1FFAR1 | |
| SCHEMBL29342719 | 1.00 | ADRB2 (0.48) | ADRB2ESR2PDE2AALDH1A1FFAR1 | |
| Hydrochloric Acid SCHEMBL27777897 | 0.98 | ADRB2 (0.46) | ADRB2ESR2PDE2AALDH1A1FFAR1 | |
| Hydrochloric Acid SCHEMBL4223688 | 0.98 | ADRB2 (0.46) | ADRB2ESR2PDE2AALDH1A1FFAR1 | |
| Hydrochloric Acid SCHEMBL29227873 | 0.98 | ADRB2 (0.46) | ADRB2ESR2PDE2AALDH1A1FFAR1 | |
| SCHEMBL4363946 | 0.91 | ALDH1A1 (0.46) | ADRB2ALDH1A1APPNAAA | |
| Hydrochloric Acid SCHEMBL11738212 | 0.90 | ALDH1A1 (0.49) | ADRB2ALDH1A1APPNAAA | |
| SCHEMBL9931641 | 0.86 | SLC18A3 (0.52) | ADRB2 | |
| SCHEMBL9482397 | 0.79 | HTR3A (0.56) | — | |
| SCHEMBL25483283 | 0.77 | ESR2 (0.42) | ESR2PDE2AALDH1A1FFAR1APP |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966156-B1 | NEW COMPOUNDS III | ASTRAZENECA AB (SE) | 2011-12-21 | — | — | EP | disclosed |