Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 2/20 | 0.31 |
| ▸ | CLK2 | P49760 | 2/20 | 0.31 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19693130 | 0.90 | ALDH1A1 (0.49) | ALDH1A1HSD17B10TDP1KDM4EPTGS2 | |
| SCHEMBL8522849 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TDP1KDM4ERAB9A | |
| SCHEMBL657838 | 0.74 | MAPT (0.40) | ALDH1A1TDP1KDM4ERAB9ASYK | |
| SCHEMBL7937313 | 0.73 | MAPT (0.43) | ALDH1A1HSD17B10TDP1KDM4ERAB9A | |
| SCHEMBL5166376 | 0.73 | SYK (0.45) | ALDH1A1RAB9ASYK | |
| SCHEMBL11768654 | 0.69 | ALDH1A1 (0.37) | ALDH1A1HSD17B10TDP1KDM4EPTGS2 | |
| SCHEMBL657497 | 0.69 | MAPT (0.39) | ALDH1A1TDP1KDM4ERAB9ASYK | |
| SCHEMBL12319727 | 0.69 | PARP1 (0.40) | ALDH1A1HSD17B10KDM4ERAB9ASYK | |
| SCHEMBL8613369 | 0.68 | SYK (0.42) | ALDH1A1HSD17B10RAB9ASYK | |
| SCHEMBL224636 | 0.67 | TRPA1 (0.42) | ALDH1A1KDM4ERAB9ASYKTSHR |
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-1569653-A1 | BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K | Warner-Lambert Company LLC (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052373-A1 | BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K | WARNER-LAMBERT COMPANY LLC (US) | 2004-06-24 | — | — | WO | disclosed |