Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 5/20 | 0.33 |
| ▸ | RARB | P10826 | 3/20 | 0.33 |
| ▸ | RARA | P10276 | 2/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL362317 | 0.92 | GPBAR1 (0.52) | GPBAR1S1PR1S1PR3FFAR1CTSA | |
| SCHEMBL361842 | 0.92 | GPBAR1 (0.51) | GPBAR1FFAR1CTSABRD4PTGER4 | |
| SCHEMBL363216 | 0.92 | GPBAR1 (0.39) | GPBAR1FFAR1CTSABRD4CYP3A4 | |
| SCHEMBL363831 | 0.91 | GPBAR1 (0.42) | GPBAR1CTSABRD4 | |
| SCHEMBL363688 | 0.91 | GPBAR1 (0.38) | GPBAR1CTSABRD4CYP3A4 | |
| SCHEMBL364998 | 0.85 | GPBAR1 (0.39) | GPBAR1S1PR1S1PR3FFAR1RARB | |
| SCHEMBL361844 | 0.85 | GPBAR1 (0.44) | GPBAR1S1PR1S1PR3FFAR1CTSA | |
| SCHEMBL364367 | 0.85 | GPBAR1 (0.39) | GPBAR1S1PR1S1PR3FFAR1RARB | |
| SCHEMBL363089 | 0.85 | GPBAR1 (0.39) | GPBAR1S1PR1S1PR3FFAR1RARB | |
| SCHEMBL1390112 | 0.82 | GPBAR1 (0.44) | GPBAR1S1PR1S1PR3FFAR1CTSA |
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 |