Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28826562 | 0.76 | TYR (0.48) | TYRESR1CES2 | |
| SCHEMBL27536513 | 0.76 | TYR (0.50) | TYRCES2CA12CA1CA2 | |
| SCHEMBL15688118 | 0.76 | TYR (0.46) | TYRCES2CA12ALDH1A1CA1 | |
| SCHEMBL25241487 | 0.75 | GABRA1 (0.46) | CA12ALDH1A1CA1CA2TSHR | |
| SCHEMBL2827168 | 0.73 | TYR (0.43) | TYRESR1CES2ALDH1A1 | |
| SCHEMBL10706691 | 0.73 | TYR (0.40) | TYRCES2CA12ALDH1A1CA1 | |
| SCHEMBL10404684 | 0.72 | TYR (0.42) | TYRCA12CA1CA2CA7 | |
| SCHEMBL28642768 | 0.71 | TYR (0.52) | TYRESR1CES2 | |
| SCHEMBL5217971 | 0.71 | ERN1 (0.50) | ALDH1A1CA1CA2TSHR | |
| SCHEMBL1806544 | 0.71 | TYR (0.44) | TYRESR1CES2CA12ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0522000-A1 | 5-LIPOXYGENASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-01-13 | — | — | EP | disclosed |
| WO-1991014674-A2 | 5-LIPOXYGENASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1991-10-03 | — | — | WO | disclosed |