Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | FLT1 | P17948 | 1/20 | 0.30 |
| ▸ | FLT4 | P35916 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15949073 | 1.00 | GPBAR1 (0.40) | GPBAR1EGFRPPARGBRD4CYP1A2 | |
| SCHEMBL1390699 | 0.92 | GPBAR1 (0.40) | GPBAR1CYP2D6 | |
| SCHEMBL10241381 | 0.92 | GPBAR1 (0.40) | GPBAR1CYP2D6 | |
| SCHEMBL10241383 | 0.92 | GPBAR1 (0.40) | GPBAR1CYP2D6 | |
| SCHEMBL370177 | 0.92 | GPBAR1 (0.40) | GPBAR1CYP2D6 | |
| SCHEMBL1389671 | 0.90 | GPBAR1 (0.41) | GPBAR1EGFRBRD4KEAP1NFE2L2 | |
| SCHEMBL368808 | 0.90 | GPBAR1 (0.41) | GPBAR1EGFRBRD4KEAP1NFE2L2 | |
| SCHEMBL1389674 | 0.90 | GPBAR1 (0.41) | GPBAR1EGFRBRD4KEAP1NFE2L2 | |
| SCHEMBL369333 | 0.90 | GPBAR1 (0.41) | GPBAR1EGFRBRD4KEAP1NFE2L2 | |
| SCHEMBL368806 | 0.90 | GPBAR1 (0.41) | GPBAR1EGFRBRD4KEAP1NFE2L2 |
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-2593426-B1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | HOFFMANN LA ROCHE (CH) | 2014-08-20 | — | — | EP | disclosed |