Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 2/20 | 0.33 |
| ▸ | ALPG | P10696 | 2/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29182136 | 0.78 | ALPG (0.38) | ALDH1A1FDPSALPLALPGPLAA | |
| SCHEMBL1165059 | 0.76 | FDPS (0.39) | ALDH1A1FDPSALPLALPGALPI | |
| SCHEMBL309967 | 0.76 | FDPS (0.39) | ALDH1A1FDPSALPLALPGALPI | |
| SCHEMBL28866236 | 0.76 | POLB (0.33) | ALDH1A1FDPSALPLALPGALPI | |
| SCHEMBL9502453 | 0.74 | — | — | |
| SCHEMBL298299 | 0.74 | — | — | |
| SCHEMBL446875 | 0.72 | — | — | |
| SCHEMBL5691412 | 0.72 | FDPS (0.34) | ALDH1A1FDPSALPLALPGALPI | |
| SCHEMBL27362843 | 0.72 | CYP3A4 (0.38) | ALDH1A1KMT2ASMN1; SMN2KDM4ECYP3A4 | |
| SCHEMBL24211659 | 0.72 | KMT2A (0.38) | ALDH1A1FDPSALPLALPGALPI |
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-117551035-A | Nitrogen-containing trisubstituted olefin compound and preparation method and application thereof | 华南师范大学 | 2024-02-13 | — | — | CN | disclosed |