Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CTSA | P10619 | 4/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL361732 | 0.85 | GPBAR1 (0.43) | GPBAR1HSD17B2CTSASLC6A9 | |
| SCHEMBL364644 | 0.82 | GPBAR1 (0.45) | GPBAR1MAPK8SMN1; SMN2TP53CTSA | |
| SCHEMBL15949284 | 0.82 | GPBAR1 (0.60) | GPBAR1HSD17B2CTSA | |
| SCHEMBL371108 | 0.81 | GPBAR1 (0.46) | GPBAR1MAPK8SMN1; SMN2TP53MAPT | |
| SCHEMBL1390109 | 0.81 | GPBAR1 (0.46) | GPBAR1MAPK8SMN1; SMN2TP53MAPT | |
| SCHEMBL1390107 | 0.81 | GPBAR1 (0.46) | GPBAR1MAPK8SMN1; SMN2TP53MAPT | |
| SCHEMBL370207 | 0.81 | GPBAR1 (0.42) | GPBAR1SLC6A9EPHX2 | |
| SCHEMBL362661 | 0.75 | BRD4 (0.38) | GPBAR1MAPK8SMN1; SMN2TP53CTSA | |
| SCHEMBL1390479 | 0.74 | GPBAR1 (0.37) | GPBAR1MAPK8SMN1; SMN2TP53CTSA | |
| SCHEMBL15949003 | 0.70 | GPBAR1 (0.48) | GPBAR1 |
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 |