Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.36 |
| ▸ | RARB | P10826 | 3/20 | 0.33 |
| ▸ | RARA | P10276 | 2/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.31 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.31 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.30 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.30 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.30 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.30 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.30 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.30 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.30 |
| ▸ | PRKAB1 | Q9Y478 | 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 | |
|---|---|---|---|---|
| SCHEMBL364998 | 1.00 | GPBAR1 (0.39) | GPBAR1ADRB1ADRB3RARBRARA | |
| SCHEMBL363089 | 1.00 | GPBAR1 (0.39) | GPBAR1ADRB1ADRB3RARBRARA | |
| SCHEMBL363296 | 0.94 | GPBAR1 (0.38) | GPBAR1ADRB1ADRB3RARBRARA | |
| SCHEMBL363787 | 0.94 | GPBAR1 (0.38) | GPBAR1ADRB1ADRB3RARBRARA | |
| SCHEMBL362646 | 0.94 | GPBAR1 (0.38) | GPBAR1ADRB1ADRB3RARBRARA | |
| SCHEMBL361680 | 0.92 | GPBAR1 (0.47) | GPBAR1ADRB1ADRB3S1PR1S1PR3 | |
| SCHEMBL364696 | 0.89 | GPBAR1 (0.38) | GPBAR1ADRB1ADRB3S1PR1S1PR3 | |
| SCHEMBL362367 | 0.89 | GPBAR1 (0.38) | GPBAR1ADRB1ADRB3S1PR1S1PR3 | |
| SCHEMBL363327 | 0.89 | GPBAR1 (0.38) | GPBAR1ADRB1ADRB3S1PR1S1PR3 | |
| SCHEMBL361844 | 0.89 | GPBAR1 (0.44) | GPBAR1ADRB1ADRB3RARBRARA |
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 2 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 | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |