Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | CPA1 | P15085 | 1/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.31 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL16164387 | 0.81 | HDAC3 (0.40) | CYP2D6CYP2C19FFAR3MMEACE | |
| SCHEMBL11782126 | 0.80 | ALDH1A1 (0.40) | MMEACECPA1ACE2CYP2C9 | |
| SCHEMBL960219 | 0.80 | ALDH1A1 (0.40) | MMEACECPA1ACE2CYP2C9 | |
| SCHEMBL5744109 | 0.80 | CYP2C9 (0.48) | MMEACECPA1ACE2CYP2C9 | |
| SCHEMBL12824659 | 0.80 | ALDH1A1 (0.40) | MMEACECPA1ACE2CYP2C9 | |
| SCHEMBL10941259 | 0.78 | CYP2D6 (0.36) | CYP2D6CYP2C19MMEACECPA1 | |
| SCHEMBL13545130 | 0.78 | CAD (0.36) | MMEACECPA1ACE2CYP2C9 | |
| SCHEMBL16164570 | 0.78 | CYP2D6 (0.41) | CYP2D6CYP2C19MMEALDH1A1MMP1 | |
| SCHEMBL22649181 | 0.78 | CYP2C9 (0.37) | MMEACECPA1ACE2CYP2C9 | |
| SCHEMBL22372624 | 0.78 | MME (0.38) | MMEACECPA1ACE2CYP2C9 |
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-114026418-B | Improvements in or relating to organic compounds | 奇华顿股份有限公司 | 2024-07-26 | — | — | CN | disclosed |