Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28650285 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CYP2C19POLBKMT2AMEN1 | |
| SCHEMBL5842171 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP2C19POLBKMT2AMEN1 | |
| SCHEMBL5842162 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP2C19POLBKMT2AMEN1 | |
| SCHEMBL29534084 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP2C19POLBKMT2AMEN1 | |
| SCHEMBL756835 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP2C19POLBKMT2AMEN1 | |
| SCHEMBL30025474 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP2C19POLBKMT2AMEN1 | |
| SCHEMBL4962448 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP2C19POLBKMT2AMEN1 | |
| SCHEMBL750949 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP2C19POLBKMT2AMEN1 | |
| SCHEMBL756836 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP2C19POLBKMT2AMEN1 | |
| SCHEMBL750948 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP2C19POLBKMT2AMEN1 |
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-109180552-B | Substituted 5-oxo pyrrolidine derivative and preparation method and application thereof | 沈阳药科大学 | 2021-10-26 | — | — | CN | disclosed |