Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6933447 | 0.88 | ESR1 (0.51) | ALDH1A1ESR1ESR2CA12CA1 | |
| SCHEMBL9774402 | 0.87 | CA12 (0.50) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL17908039 | 0.84 | ALDH1A1 (0.73) | ALDH1A1ADRB3ADRB1IRAK4KDM4E | |
| SCHEMBL8235269 | 0.83 | ESR1 (0.48) | ALDH1A1ESR1ESR2CA12CA1 | |
| SCHEMBL711452 | 0.83 | CA12 (0.59) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL27051909 | 0.82 | ESR1 (0.53) | ALDH1A1ESR1ESR2CA12CA1 | |
| SCHEMBL1699147 | 0.82 | ALDH1A1 (0.56) | ALDH1A1ADRB3ADRB1IRAK4KDM4E | |
| SCHEMBL27747073 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL25257928 | 0.81 | ALDH1A1 (0.54) | ALDH1A1ADRB3ADRB1IRAK4KDM4E | |
| SCHEMBL6647244 | 0.81 | ALDH1A1 (0.54) | ALDH1A1CA1CA2TSHRADRB3 |
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-1892239-B1 | Inhibitors of cytosolic phospholipase A2 | WYETH LLC (US) | 2013-02-20 | — | — | EP | disclosed |
| EP-1892239-A1 | Inhibitors of cytosolic phospholipase A2 | Wyeth a Corporation of the State of Delaware (US) | 2008-02-27 | — | — | EP | disclosed |
| EP-1451154-B1 | INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 | WYETH CORP (US) | 2008-01-16 | — | — | EP | disclosed |