Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 11/20 | 0.32 |
| ▸ | CA1 | P00915 | 10/20 | 0.32 |
| ▸ | CA9 | Q16790 | 9/20 | 0.32 |
| ▸ | CA12 | O43570 | 8/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.31 |
| ▸ | CA4 | P22748 | 2/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL370503 | 0.84 | GPBAR1 (0.46) | GPBAR1KEAP1NFE2L2 | |
| SCHEMBL369976 | 0.82 | GPBAR1 (0.35) | GPBAR1 | |
| SCHEMBL370694 | 0.80 | GPBAR1 (0.37) | GPBAR1KEAP1NFE2L2 | |
| SCHEMBL369724 | 0.77 | GPBAR1 (0.38) | GPBAR1CA2CA1CA9CA12 | |
| SCHEMBL369725 | 0.77 | GPBAR1 (0.38) | GPBAR1CA2CA1CA9CA12 | |
| SCHEMBL369726 | 0.77 | GPBAR1 (0.38) | GPBAR1CA2CA1CA9CA12 | |
| SCHEMBL10241381 | 0.75 | GPBAR1 (0.40) | GPBAR1CA2CA1CA9CA12 | |
| SCHEMBL10241383 | 0.75 | GPBAR1 (0.40) | GPBAR1CA2CA1CA9CA12 | |
| SCHEMBL1390699 | 0.75 | GPBAR1 (0.40) | GPBAR1CA2CA1CA9CA12 | |
| SCHEMBL370177 | 0.75 | GPBAR1 (0.40) | GPBAR1CA2CA1CA9CA12 |
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 |