Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7596205 | 0.84 | KEAP1 (0.48) | ALDH1A1KEAP1NFE2L2TSHR | |
| SCHEMBL8038013 | 0.81 | ALDH1A1 (0.45) | ALDH1A1ALOX15KEAP1NFE2L2POLB | |
| SCHEMBL8048009 | 0.76 | ALDH1A1 (0.41) | ALDH1A1ALOX15KEAP1NFE2L2POLB | |
| SCHEMBL10539276 | 0.76 | ALDH1A1 (0.41) | ALDH1A1ALOX15KEAP1NFE2L2POLB | |
| SCHEMBL8754934 | 0.75 | ALDH1A1 (0.43) | ALDH1A1ALOX15KEAP1NFE2L2POLB | |
| SCHEMBL24710385 | 0.73 | ALDH1A1 (0.54) | ALDH1A1ALOX15KEAP1NFE2L2POLB | |
| SCHEMBL28525271 | 0.73 | ALDH1A1 (0.54) | ALDH1A1ALOX15KEAP1NFE2L2POLB | |
| SCHEMBL8160121 | 0.72 | ALDH1A1 (0.45) | ALDH1A1ALOX15KEAP1NFE2L2POLB | |
| SCHEMBL22552428 | 0.72 | ALDH1A1 (0.45) | ALDH1A1ALOX15KEAP1NFE2L2POLB | |
| SCHEMBL29690316 | 0.72 | ALDH1A1 (0.45) | ALDH1A1ALOX15KEAP1NFE2L2POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0266512-B1 | METHOD FOR THE PRODUCTION OF BENZOIC ACID DERIVATIVES FLUORINATED ON THE NUCLEUS | BAYER AG (DE) | 1991-12-04 | — | — | EP | disclosed |
| US-4990661-A | Process for the preparation of benzoic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4851160-A | Process for the preparation of benzoic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-25 | — | — | US | disclosed |
| EP-0266512-A2 | Method for the production of benzoic acid derivatives fluorinated on the nucleus | BAYER AG (DE) | 1988-05-11 | — | — | EP | disclosed |