Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 2/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.31 |
| ▸ | GCG | P01275 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL370694 | 0.86 | GPBAR1 (0.37) | GPBAR1ALDH1A1GCGRGCG | |
| SCHEMBL370503 | 0.83 | GPBAR1 (0.46) | GPBAR1 | |
| SCHEMBL369177 | 0.82 | GPBAR1 (0.33) | GPBAR1 | |
| SCHEMBL369287 | 0.82 | GPBAR1 (0.36) | GPBAR1LMNATP53MDM2ALDH1A1 | |
| SCHEMBL369285 | 0.82 | GPBAR1 (0.36) | GPBAR1LMNATP53MDM2ALDH1A1 | |
| SCHEMBL369286 | 0.82 | GPBAR1 (0.36) | GPBAR1LMNATP53MDM2ALDH1A1 | |
| SCHEMBL363112 | 0.79 | GPBAR1 (0.36) | GPBAR1TP53MDM2ALDH1A1POLB | |
| SCHEMBL1390151 | 0.75 | EPHX2 (0.35) | GPBAR1LMNATP53MDM2GCGR | |
| SCHEMBL1390150 | 0.75 | EPHX2 (0.35) | GPBAR1LMNATP53MDM2GCGR | |
| SCHEMBL368212 | 0.75 | TP53 (0.36) | LMNATP53MDM2ALDH1A1POLB |
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 |