Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9865651 | 0.85 | HCAR1 (0.33) | ALDH1A1HPGDNFE2L2 | |
| SCHEMBL9867676 | 0.81 | PDE4A (0.37) | NFE2L2 | |
| SCHEMBL9866594 | 0.79 | KEAP1 (0.42) | ALDH1A1HPGDNFE2L2 | |
| SCHEMBL9868357 | 0.77 | ALDH1A1 (0.33) | ALDH1A1NFE2L2 | |
| SCHEMBL9867527 | 0.77 | TRPV3 (0.44) | ALDH1A1HPGD | |
| SCHEMBL9866046 | 0.75 | ALDH1A1 (0.39) | ALDH1A1HPGDNFE2L2 | |
| SCHEMBL9867957 | 0.72 | MEN1 (0.33) | ALDH1A1NFE2L2 | |
| SCHEMBL9865337 | 0.72 | HSP90AA1 (0.32) | ALDH1A1HPGD | |
| SCHEMBL9867762 | 0.72 | ALDH1A1 (0.37) | ALDH1A1NFE2L2 | |
| SCHEMBL9866531 | 0.71 | POLB (0.36) | ALDH1A1NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4987141-A | DERIVATIVES OF BENZENE OR PYRIDINE HAVING SULFONATE AND SULFENYL, SULFONIMIDE OR SULFONAMIDE GROUPS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-22 | — | — | US | disclosed |
| EP-0356029-A2 | Insecticidal compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-28 | — | — | EP | disclosed |