Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 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 | |
|---|---|---|---|---|
| SCHEMBL15218472 | 0.83 | ALDH1A1 (0.39) | ALDH1A1MAPTCES1 | |
| SCHEMBL4448674 | 0.81 | CYP3A4 (0.37) | CYP3A4ALDH1A1CES1S1PR1 | |
| SCHEMBL8762239 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MAPTCES1 | |
| SCHEMBL21459542 | 0.79 | NCEH1 (0.37) | CYP3A4ALDH1A1MAPTCES1S1PR1 | |
| SCHEMBL19830027 | 0.79 | CYP3A4 (0.36) | CYP3A4ALDH1A1CES1S1PR1HTR2C | |
| SCHEMBL10753626 | 0.77 | NCEH1 (0.42) | ALDH1A1 | |
| SCHEMBL15476296 | 0.75 | CYP3A4 (0.42) | CYP3A4ALDH1A1MAPT | |
| SCHEMBL22162367 | 0.75 | HTR2A (0.35) | CYP3A4CES1S1PR1HTR2CRAPGEF4 | |
| SCHEMBL31483102 | 0.75 | HTR2A (0.35) | CYP3A4CES1S1PR1HTR2CRAPGEF4 | |
| SCHEMBL31483105 | 0.75 | HTR2A (0.35) | CYP3A4CES1S1PR1HTR2CRAPGEF4 |
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-102395546-B | Method for producing aromatic chlorine and bromine compounds | BAYER CROPSCIENCE AG | 2014-03-12 | — | — | CN | disclosed |