Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.33 |
| ▸ | SCARB1 | Q8WTV0 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 4/20 | 0.32 |
| ▸ | HTR1B | P28222 | 4/20 | 0.32 |
| ▸ | HTR2A | P28223 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9520549 | 0.88 | CYP3A4 (0.51) | CYP3A4CYP2D6NR1I2PPARAS1PR1 | |
| SCHEMBL9521817 | 0.88 | CYP3A4 (0.51) | CYP3A4CYP2D6NR1I2PPARAS1PR1 | |
| SCHEMBL9202945 | 0.86 | NR1I2 (0.67) | CYP3A4CYP2D6NR1I2S1PR1L3MBTL1 | |
| SCHEMBL9205929 | 0.85 | NR1I2 (0.57) | CYP3A4CYP2D6NR1I2S1PR1L3MBTL1 | |
| SCHEMBL9203587 | 0.84 | NR1I2 (0.56) | CYP3A4CYP2D6NR1I2PPARAS1PR1 | |
| SCHEMBL9521718 | 0.83 | CYP3A4 (0.55) | CYP3A4CYP2D6NR1I2S1PR1L3MBTL1 | |
| SCHEMBL9207040 | 0.83 | NR1I2 (0.44) | CYP3A4CYP2D6NR1I2PPARAS1PR1 | |
| SCHEMBL8135581 | 0.82 | CYP3A4 (0.52) | CYP3A4CYP2D6NR1I2S1PR1L3MBTL1 | |
| SCHEMBL5099352 | 0.82 | NR1I2 (0.77) | CYP3A4CYP2D6NR1I2 | |
| SCHEMBL9201818 | 0.82 | NR1I2 (0.39) | CYP3A4CYP2D6NR1I2PPARAS1PR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0413289-B1 | Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents | STERLING WINTHROP INC (US) | 1995-02-01 | — | — | EP | disclosed |
| US-5175178-A | 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents | STERLING DRUG INC. (US) | 1992-12-29 | — | — | US | disclosed |
| US-4942241-A | PICORNAVIRUS INCLUDING RHINOVIRUS | STERLING DRUG INC. (US) | 1990-07-17 | — | — | US | disclosed |