Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 8/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL363245 | 0.92 | GPBAR1 (0.43) | GPBAR1CTSAFFAR1BRD4CYP3A4 | |
| SCHEMBL361842 | 0.87 | GPBAR1 (0.51) | GPBAR1CTSAFFAR1BRD4CYP3A4 | |
| SCHEMBL364504 | 0.86 | GPBAR1 (0.40) | GPBAR1ACLYNPC1CTSAFFAR1 | |
| SCHEMBL363831 | 0.85 | GPBAR1 (0.42) | GPBAR1CTSABRD4 | |
| SCHEMBL363688 | 0.84 | GPBAR1 (0.38) | GPBAR1CTSABRD4CYP3A4 | |
| SCHEMBL362317 | 0.84 | GPBAR1 (0.52) | GPBAR1CTSAFFAR1BRD4CYP3A4 | |
| SCHEMBL1389910 | 0.83 | GPBAR1 (0.40) | GPBAR1NPC1CTSAFFAR1NR4A2 | |
| SCHEMBL1389912 | 0.83 | GPBAR1 (0.40) | GPBAR1NPC1CTSAFFAR1NR4A2 | |
| SCHEMBL362689 | 0.82 | TDP1 (0.38) | GPBAR1ACLYNPC1CTSAFFAR1 | |
| SCHEMBL362892 | 0.81 | GPBAR1 (0.39) | GPBAR1CTSAFFAR1CYP3A4 |
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 |