Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4373360 | 0.80 | RARB (0.45) | MAP3K14AKR1B1 | |
| SCHEMBL8081719 | 0.80 | MAPT (0.42) | MAP3K14AKR1B1MAPT | |
| SCHEMBL8089568 | 0.73 | ITGB2 (0.41) | MAP3K14 | |
| SCHEMBL25498034 | 0.72 | MAP3K14 (0.39) | MAP3K14AKR1B1MAPT | |
| SCHEMBL7713129 | 0.71 | RARB (0.36) | MAP3K14AKR1B1 | |
| SCHEMBL14053776 | 0.70 | AKR1B1 (0.33) | AKR1B1 | |
| SCHEMBL8095496 | 0.70 | MAP3K14 (0.38) | MAP3K14 | |
| SCHEMBL8088747 | 0.70 | MAP3K14 (0.36) | MAP3K14 | |
| SCHEMBL8089535 | 0.69 | MAP3K14 (0.47) | MAP3K14ALDH1A1MAPT | |
| SCHEMBL8081759 | 0.65 | RARB (0.45) | MAP3K14AKR1B1 |
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 |