Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.63 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 7/20 | 0.52 |
| ▸ | IGF1R | P08069 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | TP53 | P04637 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.52 |
| ▸ | RECQL | P46063 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | THPO | P40225 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11191088 | 0.83 | XDH (0.44) | XDHTRPA1CA1CA2CA4 | |
| SCHEMBL30957054 | 0.83 | XDH (0.59) | XDHTRPA1CA1CA2CA4 | |
| SCHEMBL9742479 | 0.83 | XDH (0.59) | XDHTRPA1CA1CA2CA4 | |
| SCHEMBL9742483 | 0.83 | XDH (0.59) | XDHTRPA1CA1CA2CA4 | |
| SCHEMBL26249726 | 0.81 | XDH (0.68) | XDHTRPA1CA1CA2CA4 | |
| Hydroxychavicol SCHEMBL28050570 | 0.81 | XDH (0.88) | XDHTRPA1CA1CA2CA4 | |
| SCHEMBL29929036 | 0.79 | XDH (0.65) | XDHTRPA1CA1CA2CA4 | |
| SCHEMBL891837 | 0.79 | XDH (0.65) | XDHTRPA1CA1CA2CA4 | |
| SCHEMBL1291989 | 0.78 | XDH (0.59) | XDHTRPA1CA1CA2CA4 | |
| SCHEMBL5922898 | 0.78 | ALDH1A1 (0.72) | ALOX15ALDH1A1MAPK1ALOX12CYP3A4 |
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-1638930-A1 | AMINE SALTS OF (-)-2- ¬2-(4-HYDROXYPHENYL)ETHYL|-THIO -3-¬4-(2- 4-¬(METHYLSULFONYL)OXY|PHENOXY ETHYL)PHENYL|PROPANOIC ACID AND THEIR USE IN MEDICINE. | Astrazeneca AB (SE) | 2006-03-29 | — | — | EP | disclosed |
| WO-2004113283-A1 | AMINE SALTS OF (-)-2-{`2-(4-HYDROXYPHENYL) ETHYL!-THIO}-3-`4-(2-{4-`(METHYLSULFONYL)OXY! PHENOXY}ETHYL)PHENYL! PROPANOIC ACID AND THERE USE IN MEDICINE | ASTRAZENECA AB (SE) | 2004-12-29 | — | — | WO | disclosed |