Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24345592 | 1.00 | MAP3K14 (0.42) | MAP3K14ALDH1A3ALDH3A1ALDH1A1KMT2A | |
| SCHEMBL24345594 | 0.76 | MAP3K14 (0.45) | MAP3K14 | |
| SCHEMBL29457617 | 0.74 | MAP3K14 (0.43) | MAP3K14 | |
| SCHEMBL24345590 | 0.74 | MAP3K14 (0.43) | MAP3K14 | |
| SCHEMBL17030553 | 0.72 | ALDH1A1 (0.35) | ALDH1A3ALDH3A1ALDH1A1KMT2A | |
| SCHEMBL564748 | 0.70 | ALDH1A1 (0.39) | ALDH1A3ALDH3A1ALDH1A1KMT2A | |
| SCHEMBL8363230 | 0.69 | ALDH1A1 (0.38) | ALDH1A3ALDH3A1ALDH1A1KMT2A | |
| SCHEMBL6026797 | 0.69 | MAP3K14 (0.51) | MAP3K14 | |
| SCHEMBL565128 | 0.68 | MAPK8 (0.38) | ALDH1A3ALDH3A1ALDH1A1KMT2A | |
| SCHEMBL16396399 | 0.67 | MAP3K14 (0.49) | MAP3K14 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022074177-A1 | DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION | Technische Universität Berlin (DE) | 2022-04-14 | — | — | WO | disclosed |