Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.76 |
| ▸ | MMP13 | P45452 | 2/20 | 0.54 |
| ▸ | MMP2 | P08253 | 2/20 | 0.54 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.54 |
| ▸ | MMP14 | P50281 | 1/20 | 0.54 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.48 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 2/20 | 0.47 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22251958 | 0.86 | KEAP1 (1.00) | KEAP1MMP13MMP2ADAMTS4MMP14 | |
| SCHEMBL22252122 | 0.85 | KEAP1 (0.73) | KEAP1MMP13MMP2ALDH1A1PTGES | |
| SCHEMBL5093686 | 0.82 | ALDH1A1 (0.72) | KEAP1ALDH1A1CNR2PTGESPOLB | |
| SCHEMBL22252106 | 0.82 | KEAP1 (0.54) | KEAP1ALDH1A1CNR2POLBTAS2R14 | |
| SCHEMBL5226181 | 0.79 | L3MBTL1 (0.52) | KEAP1ALDH1A1CNR2NR1H4LMNA | |
| SCHEMBL7411076 | 0.77 | KMT2A (0.63) | ALDH1A1NR1H4LMNAL3MBTL1CA1 | |
| SCHEMBL22252111 | 0.76 | ALDH1A1 (0.48) | KEAP1ALDH1A1TAS2R14TP53 | |
| SCHEMBL7093324 | 0.76 | TP53 (0.65) | KEAP1ALDH1A1THRBPTGESTAS2R14 | |
| SCHEMBL7350174 | 0.76 | ALDH1A1 (0.81) | KEAP1ALDH1A1CNR2PTGESTAS2R14 | |
| SCHEMBL22251989 | 0.74 | HCRTR2 (0.51) | KEAP1ALDH1A1POLBLMNATAS2R14 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020150446-A1 | SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2020-07-23 | — | — | WO | disclosed |