Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 5/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | CHAT | P28329 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10958098 | 0.87 | AOC3 (0.43) | ALDH1A1MAPTHPGDALOX15TSHR | |
| SCHEMBL1992007 | 0.75 | AOC3 (0.43) | POLBKMT2AAOC3ACP3 | |
| Ethane SCHEMBL2153770 | 0.74 | CHRM5 (0.54) | ALDH1A1MAPTHPGDHSD17B10KMT2A | |
| SCHEMBL40399 | 0.73 | — | — | |
| SCHEMBL29672621 | 0.73 | — | — | |
| Dimethylamine SCHEMBL5202356 | 0.70 | CHRM5 (0.50) | ALDH1A1MAPTHPGDHSD17B10KMT2A | |
| Ethylene Glycol SCHEMBL28617308 | 0.69 | CYP1A2 (0.52) | ALDH1A1MAPTHPGDHSD17B10KMT2A | |
| Benzaldehyde SCHEMBL20557183 | 0.69 | ALDH1A1 (0.61) | ALDH1A1MAPTHPGDHSD17B10POLB | |
| SCHEMBL2517078 | 0.68 | ALDH1A1 (0.41) | ALDH1A1TSHRNPC1RAB9A | |
| SCHEMBL4169139 | 0.68 | ACP3 (0.40) | ALDH1A1MAPTHPGDALOX15TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |