Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 4/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KHK | P50053 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5360639 | 0.84 | ALDH1A1 (0.37) | KEAP1NFE2L2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL5361238 | 0.84 | KEAP1 (0.44) | CASP1KEAP1NFE2L2TAS1R3TAS1R1 | |
| SCHEMBL5704378 | 0.83 | TAS1R3 (0.35) | KEAP1NFE2L2TAS1R3TAS1R1TAS1R2 | |
| Hydrochloric Acid SCHEMBL9475356 | 0.83 | KEAP1 (0.43) | KEAP1NFE2L2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL7038205 | 0.76 | KEAP1 (0.43) | KEAP1NFE2L2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL10617319 | 0.76 | KEAP1 (0.41) | CASP1KEAP1NFE2L2DGAT1MEN1 | |
| SCHEMBL7044003 | 0.75 | DGAT1 (0.38) | CASP1DGAT1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL9899980 | 0.74 | KEAP1 (0.40) | CASP1KEAP1NFE2L2DGAT1MEN1 | |
| SCHEMBL5704384 | 0.72 | ALDH1A1 (0.41) | MEN1ALDH1A1KMT2ATP53CYP3A4 | |
| SCHEMBL9790158 | 0.71 | ALDH1A1 (0.44) | TAS1R3TAS1R1TAS1R2MEN1ALDH1A1 |
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-1001929-B1 | METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID | BAYER AG (DE) | 2003-03-26 | — | — | EP | disclosed |
| US-6462218-B1 | BY HYDROLYTIC CLEAVAGE CARRIED OUT IN THE PRESENCE OF ACIDS AND WATER OF ITS AMIDE, ESTER OR CYANO DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| EP-1001929-A1 | METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID | Bayer Aktiengesellschaft (DE) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006360-A1 | METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 1999-02-11 | — | — | WO | disclosed |