Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ASPH | Q12797 | 1/20 | 0.36 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | TPMT | P51580 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9766052 | 0.84 | ALDH1A1 (0.41) | KEAP1NFE2L2TSHRALDH1A1 | |
| SCHEMBL8974977 | 0.81 | KEAP1 (0.53) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL26105927 | 0.78 | KEAP1 (0.47) | KEAP1NFE2L2CYP3A4MAP2K1KDM4E | |
| SCHEMBL30574276 | 0.78 | KEAP1 (0.47) | KEAP1NFE2L2CYP3A4MAP2K1KDM4E | |
| SCHEMBL29053402 | 0.78 | KDM4E (0.47) | KEAP1NFE2L2CYP3A4KDM4ETPMT | |
| SCHEMBL8038276 | 0.76 | KEAP1 (0.48) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL7041352 | 0.76 | CYP3A4 (0.50) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL10539386 | 0.76 | KEAP1 (0.48) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL22972614 | 0.75 | KEAP1 (0.52) | KEAP1NFE2L2CYP3A4MAP2K1KDM4E | |
| SCHEMBL3539441 | 0.75 | KEAP1 (0.52) | KEAP1NFE2L2CYP3A4MAP2K1KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968994-B1 | PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF | UBE INDUSTRIES (JP) | 2002-11-06 | — | — | EP | disclosed |
| US-6307091-B1 | TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. | UBE INDUSTRIES, LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| US-6160171-A | Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same | UBE INDUSTRIES, LTD. (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0968994-A1 | SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES, LTD. (JP) | 2000-01-05 | — | — | EP | disclosed |
| 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 |