Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 4/20 | 0.34 |
| ▸ | APP | P05067 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | WNT3A | P56704 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | HNF4A | P41235 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9009686 | 0.81 | MAP3K14 (0.34) | MAP3K14NR3C1RXRAHNF4A | |
| SCHEMBL8095496 | 0.78 | MAP3K14 (0.38) | MAP3K14 | |
| SCHEMBL5835328 | 0.77 | RARA (0.40) | MAP3K14ALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL19889240 | 0.77 | MAP3K14 (0.40) | MAP3K14ALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL8089568 | 0.77 | ITGB2 (0.41) | MAP3K14NR3C1 | |
| SCHEMBL19889242 | 0.76 | MAP3K14 (0.39) | MAP3K14ALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL29295492 | 0.75 | MAP3K14 (0.44) | MAP3K14ALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL6124162 | 0.73 | MAP3K14 (0.38) | MAP3K14ALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL8081719 | 0.72 | MAPT (0.42) | MAP3K14MAPTBACE1 | |
| SCHEMBL6124712 | 0.72 | MAP3K14 (0.39) | MAP3K14NR3C1 |
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-0740665-B1 | PROCESS FOR PREPARING 4,4-DIALKYL-6-HALO-CHROMANS OR THIOCHROMANS USEFUL AS PHARMACEUTICAL INTERMEDIATES | ALLERGAN SALES INC (US) | 2000-12-06 | — | — | EP | disclosed |
| US-5519150-A | Process for preparing 4,4-dialkyl-6-halo-chromans or thiochromans useful as pharmaceutical intermediates | ALLERGAN (US) | 1996-05-21 | — | — | US | disclosed |
| US-5420295-A | Process for preparing 4,4-dialkyl-6-halo-chromans or thiochromans useful as pharmaceutical intermediates | ALLERGAN, INC. (US) | 1995-05-30 | — | — | US | disclosed |