Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | STAT3 | P40763 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 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 | |
|---|---|---|---|---|
| SCHEMBL5364750 | 0.85 | TRPV4 (0.38) | TRPV4CES2CES1STAT3KDM4E | |
| SCHEMBL3552234 | 0.83 | KEAP1 (0.39) | TRPV4CES2CES1STAT3KDM4E | |
| SCHEMBL5362826 | 0.83 | ALDH1A1 (0.39) | TRPV4CES2CES1STAT3KDM4E | |
| SCHEMBL14408161 | 0.81 | STAT3 (0.36) | TRPV4CES2CES1STAT3CYP11B2 | |
| SCHEMBL7045129 | 0.79 | ALDH1A1 (0.48) | STAT3KDM4EALDH1A1HPGDCA1 | |
| SCHEMBL28085635 | 0.76 | DGAT1 (0.45) | DGAT1CES2CES1PARP1ROCK2 | |
| SCHEMBL829400 | 0.76 | DGAT1 (0.45) | DGAT1CES2CES1PARP1ROCK2 | |
| SCHEMBL7038698 | 0.75 | CASP1 (0.39) | DGAT1TRPV4PARP1CYP11B2ROCK2 | |
| SCHEMBL809118 | 0.75 | TRPV4 (0.50) | TRPV4CES2CES1STAT3CA1 | |
| SCHEMBL3552211 | 0.74 | STAT3 (0.56) | STAT3KDM4EALDH1A1 |
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 |