Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9704918 | 0.82 | MAPK1 (0.50) | MAPK1CASP1CASP7MAPTKDM4E | |
| SCHEMBL10054049 | 0.82 | NLRP3 (0.61) | NLRP3MAPK1RAB9AMAPTKDM4E | |
| SCHEMBL9703964 | 0.80 | MAPK1 (0.58) | NLRP3MAPK1CASP1CASP7MAPT | |
| SCHEMBL9703578 | 0.78 | MAPK1 (0.49) | MAPK1CASP1CASP7MAPTKDM4E | |
| SCHEMBL9705722 | 0.78 | MAPK1 (0.49) | NLRP3MAPK1CASP1CASP7MAPT | |
| SCHEMBL10989096 | 0.75 | KDM4E (0.68) | NLRP3RAB9AMAPTKDM4EKMT2A | |
| SCHEMBL10030013 | 0.75 | NLRP3 (1.00) | NLRP3RAB9AMAPTKDM4EKMT2A | |
| SCHEMBL30919385 | 0.74 | BRPF1 (0.57) | CASP1CASP7RAB9AMAPTKDM4E | |
| SCHEMBL15709226 | 0.74 | BRPF1 (0.57) | CASP1CASP7RAB9AMAPTKDM4E | |
| SCHEMBL9282229 | 0.74 | CYP17A1 (0.44) | MAPK1CASP1CASP7CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1020453-B1 | 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH | KYORIN SEIYAKU KK (JP) | 2004-05-19 | — | — | EP | disclosed |
| US-6348461-B1 | CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2002-02-19 | — | — | US | disclosed |
| EP-1020453-A1 | 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2000-07-19 | — | — | EP | disclosed |