Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | KAT8 | Q9H7Z6 | 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 | |
|---|---|---|---|---|
| SCHEMBL4624724 | 0.88 | KEAP1 (0.47) | KEAP1L3MBTL1PTGS1ALDH1A1NFE2L2 | |
| SCHEMBL1002828 | 0.86 | KEAP1 (0.41) | KEAP1L3MBTL1PTGS1ALDH1A1NFE2L2 | |
| SCHEMBL22000403 | 0.84 | LIPG (0.47) | KEAP1L3MBTL1PTGS1ALDH1A1NFE2L2 | |
| SCHEMBL8867618 | 0.83 | KEAP1 (0.46) | KEAP1L3MBTL1PTGS1ALDH1A1NFE2L2 | |
| SCHEMBL8504969 | 0.83 | ALDH1A1 (0.45) | KEAP1L3MBTL1PTGS1ALDH1A1KDM4E | |
| SCHEMBL8867626 | 0.82 | PIK3CG (0.49) | KEAP1L3MBTL1PTGS1ALDH1A1NFE2L2 | |
| SCHEMBL16323291 | 0.82 | KEAP1 (0.45) | KEAP1L3MBTL1PTGS1ALDH1A1NFE2L2 | |
| SCHEMBL4866296 | 0.81 | KEAP1 (0.50) | KEAP1L3MBTL1PTGS1ALDH1A1NFE2L2 | |
| Hydrochloric Acid SCHEMBL15225007 | 0.80 | KEAP1 (0.49) | KEAP1L3MBTL1PTGS1ALDH1A1NFE2L2 | |
| SCHEMBL3715386 | 0.80 | PLA2G7 (0.54) | KEAP1L3MBTL1PTGS1ALDH1A1NFE2L2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882040-A4 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO INC (US) | 1999-02-10 | — | — | EP | disclosed |
| EP-0882040-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997021707-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1997-06-19 | — | — | WO | disclosed |