Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21552117 | 0.82 | MEN1 (0.39) | ALDH1A1NR3C1HTTNPC1MEN1 | |
| SCHEMBL3180703 | 0.78 | ALDH1A1 (0.44) | ALDH1A1NR3C1HTTNPC1MEN1 | |
| SCHEMBL288823 | 0.77 | ALDH1A1 (0.42) | ALDH1A1NR3C1HTTNPC1MEN1 | |
| SCHEMBL288966 | 0.77 | ALDH1A1 (0.42) | ALDH1A1NR3C1HTTNPC1MEN1 | |
| SCHEMBL27815006 | 0.77 | ALDH1A1 (0.42) | ALDH1A1NR3C1HTTNPC1MEN1 | |
| SCHEMBL28647935 | 0.77 | ALDH1A1 (0.42) | ALDH1A1NR3C1HTTNPC1MEN1 | |
| SCHEMBL21553863 | 0.76 | PKM (0.40) | ALDH1A1HTTNPC1MEN1KMT2A | |
| SCHEMBL5544432 | 0.74 | CNR2 (0.36) | ALDH1A1NPC1CNR2 | |
| SCHEMBL27858036 | 0.73 | HTT (0.35) | ALDH1A1HTTNPC1MEN1KMT2A | |
| SCHEMBL30826372 | 0.73 | CNR2 (0.34) | ALDH1A1NR3C1NPC1CNR2ADORA2A |
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-2019216742-A1 | NOVEL COMPOUND EXHIBITING ENTEROPEPTIDASE INHIBITORY ACTIVITY | 주식회사 엘지화학 (KR) | 2019-11-14 | — | — | WO | disclosed |