Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 4/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | RARA | P10276 | 2/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | RARG | P13631 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6761742 | 0.99 | MAP3K14 (0.43) | MAP3K14AKR1B1RARARARBRARG | |
| SCHEMBL6606788 | 0.99 | MAP3K14 (0.43) | MAP3K14AKR1B1RARARARBRARG | |
| SCHEMBL6605548 | 0.77 | MAP3K14 (0.49) | MAP3K14AKR1B1RARARARBRARG | |
| SCHEMBL6605552 | 0.77 | MAP3K14 (0.49) | MAP3K14AKR1B1RARARARBRARG | |
| SCHEMBL5399703 | 0.77 | MAP3K14 (0.49) | MAP3K14AKR1B1RARARARBRARG | |
| SCHEMBL6760984 | 0.77 | AKR1B1 (0.37) | MAP3K14AKR1B1 | |
| SCHEMBL6605516 | 0.77 | AKR1B1 (0.37) | MAP3K14AKR1B1 | |
| SCHEMBL8792757 | 0.73 | AKR1B1 (0.49) | MAP3K14AKR1B1APPBACE1KDM4E | |
| SCHEMBL20480155 | 0.73 | MAP3K14 (0.54) | MAP3K14AKR1B1RARARARBRARG | |
| SCHEMBL19284979 | 0.73 | MAP3K14 (0.57) | MAP3K14AKR1B1RARARARBRARG |
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-1283837-A1 | NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | AstraZeneca AB (SE) | 2003-02-19 | — | — | EP | disclosed |
| WO-2001087879-A1 | NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2001-11-22 | — | — | WO | disclosed |