Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | SI | P14410 | 2/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | SPR | P35270 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.31 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.31 |
| ▸ | F11 | P03951 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL363277 | 0.93 | GPBAR1 (0.41) | GPBAR1S1PR3S1PR1SRD5A2SPR | |
| SCHEMBL363638 | 0.93 | GPBAR1 (0.41) | GPBAR1S1PR3S1PR1SRD5A2SPR | |
| SCHEMBL363248 | 0.93 | GPBAR1 (0.41) | GPBAR1S1PR3S1PR1SRD5A2SPR | |
| SCHEMBL363178 | 0.92 | GPBAR1 (0.51) | GPBAR1BRD4SRD5A2MGAMGAA | |
| SCHEMBL363089 | 0.92 | GPBAR1 (0.39) | GPBAR1S1PR3S1PR1BRD4ERCC1 | |
| SCHEMBL364998 | 0.92 | GPBAR1 (0.39) | GPBAR1S1PR3S1PR1BRD4ERCC1 | |
| SCHEMBL364367 | 0.92 | GPBAR1 (0.39) | GPBAR1S1PR3S1PR1BRD4ERCC1 | |
| SCHEMBL362281 | 0.91 | GPBAR1 (0.48) | GPBAR1BRD4RXRARXRBERCC1 | |
| SCHEMBL362457 | 0.91 | GPBAR1 (0.48) | GPBAR1BRD4MGAMGAASI | |
| SCHEMBL363327 | 0.91 | GPBAR1 (0.38) | GPBAR1S1PR3S1PR1BRD4RXRA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | claimed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | claimed |
| EP-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |