Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HTR1D | P28221 | 3/20 | 0.34 |
| ▸ | HTR1B | P28222 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9520881 | 0.88 | PPARA (0.35) | CYP3A4CYP2D6NR1I2ALDH1A1MEN1 | |
| SCHEMBL13688008 | 0.83 | NR1I2 (0.52) | CYP3A4CYP2D6NR1I2ALDH1A1MEN1 | |
| SCHEMBL9523660 | 0.83 | CYP3A4 (0.49) | CYP3A4CYP2D6NR1I2ALDH1A1MEN1 | |
| SCHEMBL9523262 | 0.79 | MAPT (0.35) | CYP3A4CYP2D6ALDH1A1MEN1KMT2A | |
| SCHEMBL9862882 | 0.74 | ALDH1A1 (0.35) | CYP3A4CYP2D6NR1I2ALDH1A1MEN1 | |
| SCHEMBL9200266 | 0.72 | NR1I2 (0.73) | CYP3A4CYP2D6NR1I2ALDH1A1MEN1 | |
| SCHEMBL9523473 | 0.71 | NR1I2 (0.38) | CYP3A4CYP2D6NR1I2ALDH1A1MEN1 | |
| SCHEMBL13623353 | 0.70 | NR1I2 (0.71) | CYP3A4CYP2D6NR1I2 | |
| SCHEMBL13623370 | 0.69 | NR1I2 (0.61) | CYP3A4CYP2D6NR1I2S1PR1L3MBTL1 | |
| SCHEMBL9520118 | 0.68 | ESR1 (0.47) | ALDH1A1MEN1KMT2AMAPTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0523803-A1 | 1,2,4-Oxadiazolyl-phenoxy-alkylisoxazoles and their use as antiviral agents | STERLING WINTHROP INC. (US) | 1993-01-20 | — | — | EP | disclosed |