Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 4/20 | 0.32 |
| ▸ | CES1 | P23141 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2966297 | 0.84 | CES2 (0.39) | KEAP1NFE2L2POLBAPEX1HPGD | |
| SCHEMBL8974977 | 0.82 | KEAP1 (0.53) | KEAP1NFE2L2POLBAPEX1TSHR | |
| SCHEMBL8038013 | 0.82 | ALDH1A1 (0.45) | KEAP1NFE2L2POLBAPEX1HPGD | |
| SCHEMBL6445645 | 0.79 | TSHR (0.48) | HPGDTSHRMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8722551 | 0.77 | CES2 (0.40) | KEAP1NFE2L2POLBAPEX1HPGD | |
| SCHEMBL11524184 | 0.77 | KEAP1 (0.36) | KEAP1NFE2L2POLBAPEX1HPGD | |
| SCHEMBL10960763 | 0.75 | CES2 (0.40) | KEAP1NFE2L2POLBAPEX1HPGD | |
| SCHEMBL7744978 | 0.74 | POLB (0.53) | KEAP1NFE2L2POLBAPEX1HPGD | |
| SCHEMBL8507770 | 0.73 | POLB (0.43) | KEAP1NFE2L2POLBAPEX1HPGD | |
| SCHEMBL8508742 | 0.73 | POLB (0.43) | KEAP1NFE2L2POLBAPEX1HPGD |
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 |