Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL22171539 | 0.83 | CYP3A4 (0.50) | CYP3A4IDO1ERN1RAPGEF4TDP1 | |
| SCHEMBL20109997 | 0.82 | CYP3A4 (0.45) | CYP3A4IDO1ERN1RAPGEF4TDP1 | |
| SCHEMBL11948882 | 0.82 | CYP3A4 (0.45) | CYP3A4IDO1ERN1RAPGEF4TDP1 | |
| SCHEMBL10774187 | 0.81 | CYP3A4 (0.43) | CYP3A4TDP1CYP2A6ALDH1A1POLB | |
| SCHEMBL6258762 | 0.79 | CYP3A4 (0.46) | CYP3A4IDO1ERN1RAPGEF4TDP1 | |
| SCHEMBL29957786 | 0.79 | ERN1 (0.57) | CYP3A4ERN1TDP1ALDH1A1POLB | |
| SCHEMBL692253 | 0.79 | ERN1 (0.57) | CYP3A4ERN1TDP1ALDH1A1POLB | |
| SCHEMBL7820969 | 0.79 | CYP3A4 (0.46) | CYP3A4IDO1ERN1RAPGEF4TDP1 | |
| SCHEMBL16960087 | 0.79 | CYP3A4 (0.46) | CYP3A4IDO1ERN1RAPGEF4TDP1 | |
| SCHEMBL1547285 | 0.78 | TP53 (0.48) | CYP3A4ERN1RAPGEF4TDP1ALDH1A1 |
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-103626704-B | 1-substituted alkenyl pyrazole compound and preparation method | SHANGHAI NORMAL UNIVERSITY (CN) | 2015-09-09 | — | — | CN | claimed |