Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 5/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL931422 | 1.00 | EPHX1 (0.48) | EPHX1ALDH1A1TP53HRH2HRH4 | |
| SCHEMBL13999779 | 1.00 | EPHX1 (0.48) | EPHX1ALDH1A1TP53HRH2HRH4 | |
| SCHEMBL20358270 | 0.89 | — | — | |
| SCHEMBL14000059 | 0.86 | ALDH1A1 (0.37) | EPHX1ALDH1A1HRH2HRH4HRH3 | |
| SCHEMBL6769503 | 0.83 | ALDH1A1 (0.42) | EPHX1ALDH1A1TP53CA12CA1 | |
| SCHEMBL1208925 | 0.81 | ALDH1A1 (0.55) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL6808670 | 0.81 | ALDH1A1 (0.55) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL17715691 | 0.81 | ALDH1A1 (0.42) | EPHX1ALDH1A1TP53CA12CA1 | |
| SCHEMBL8651989 | 0.81 | ALDH1A1 (0.55) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL4742218 | 0.81 | ALDH1A1 (0.42) | EPHX1ALDH1A1TP53CA12CA1 |
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-1577291-A1 | Phenylethanolamine derivatives as beta-2 agonists | Pfizer Limited (GB) | 2005-09-21 | — | — | EP | disclosed |