Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | TAF1 | P21675 | 1/20 | 0.35 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29082200 | 0.80 | KDM4E (0.50) | BCHEAHRKEAP1NR3C1PGR | |
| SCHEMBL28747176 | 0.79 | AHR (0.43) | BCHEAHRKEAP1NR3C1PGR | |
| SCHEMBL6089123 | 0.75 | NR3C1 (0.51) | BCHEAHRKEAP1NR3C1PGR | |
| SCHEMBL18028982 | 0.71 | BCHE (0.47) | BCHEAHRKEAP1NR3C1PGR | |
| SCHEMBL25582668 | 0.71 | BCHE (0.58) | BCHEAHRKEAP1NR3C1PGR | |
| SCHEMBL1486298 | 0.71 | SIGMAR1 (0.53) | KDM4EMAPTGAA | |
| SCHEMBL26987480 | 0.69 | C5AR1 (0.62) | NR3C1PGRNR3C2ARKDM4E | |
| SCHEMBL97592 | 0.68 | BACE1 (0.57) | BCHEAHRKEAP1NR3C1PGR | |
| Formic Acid SCHEMBL29178525 | 0.68 | KEAP1 (0.49) | BCHEAHRKEAP1NR3C1PGR | |
| SCHEMBL28165786 | 0.68 | KEAP1 (0.53) | BCHEAHRKEAP1NR3C1PGR |
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 |
|---|---|---|---|---|---|---|---|
| CN-101356172-A | Kinase inhibitors | TAKEDA SAN DIEGO INC (US) | 2009-01-28 | — | — | CN | claimed |
| CN-102014901-A | Pharmaceutical composition | TAKEDA PHARMACEUTICAL | 2011-04-13 | — | — | CN | disclosed |
| CN-101573335-A | Kinase inhibitors | TAKEDA SAN DIEGO INC (JP) | 2009-11-04 | — | — | CN | disclosed |
| CN-101356172-A | Kinase inhibitors | TAKEDA SAN DIEGO INC (US) | 2009-01-28 | — | — | CN | disclosed |