Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ASPH | Q12797 | 1/20 | 0.33 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5361238 | 0.88 | KEAP1 (0.44) | KEAP1NFE2L2NOTUMTAS1R3TAS1R1 | |
| Hydrochloric Acid SCHEMBL9475356 | 0.86 | KEAP1 (0.43) | KEAP1NFE2L2NOTUMTAS1R3TAS1R1 | |
| SCHEMBL3552234 | 0.84 | KEAP1 (0.39) | KEAP1NFE2L2NOTUMTRPV4MAP2K1 | |
| SCHEMBL22972614 | 0.77 | KEAP1 (0.52) | KEAP1NFE2L2NOTUMDAOCYP3A4 | |
| SCHEMBL5360639 | 0.77 | ALDH1A1 (0.37) | KEAP1NFE2L2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL5704378 | 0.76 | TAS1R3 (0.35) | KEAP1NFE2L2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL7038698 | 0.76 | CASP1 (0.39) | KEAP1NFE2L2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL18149189 | 0.74 | NOTUM (0.43) | NOTUMTAS1R3TAS1R1TAS1R2MRGPRX4 | |
| SCHEMBL29376622 | 0.74 | KEAP1 (0.52) | KEAP1NFE2L2NOTUMDAOCYP3A4 | |
| SCHEMBL2434231 | 0.74 | KEAP1 (0.52) | KEAP1NFE2L2NOTUMDAOCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |