Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10451316 | 0.86 | AR (0.49) | NFE2L2SMN1; SMN2TSHRARCA12 | |
| SCHEMBL29749364 | 0.86 | AR (0.49) | NFE2L2SMN1; SMN2TSHRARCA12 | |
| SCHEMBL8417921 | 0.83 | SMN1; SMN2 (0.47) | NFE2L2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL31438691 | 0.83 | SMN1; SMN2 (0.47) | NFE2L2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL1884282 | 0.80 | SMN1; SMN2 (0.44) | NFE2L2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL18537139 | 0.80 | SMN1; SMN2 (0.44) | NFE2L2SMN1; SMN2TSHRCA12CA1 | |
| SCHEMBL20153912 | 0.77 | SMN1; SMN2 (0.46) | NFE2L2SMN1; SMN2TSHRCA12CA1 | |
| SCHEMBL5706508 | 0.76 | CA1 (0.46) | NFE2L2SMN1; SMN2TSHRCA12CA1 | |
| SCHEMBL2128908 | 0.76 | SMN1; SMN2 (0.44) | NFE2L2SMN1; SMN2TSHRCA12CA1 | |
| SCHEMBL11480225 | 0.76 | SMN1; SMN2 (0.44) | NFE2L2SMN1; SMN2TSHRCA12CA1 |
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-1765793-A1 | CETP INHIBITORS | Merck and Co., Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006014413-A1 | CETP INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |