Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.47 |
| ▸ | 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 |
| ▸ | BCHE | P06276 | 3/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
| ▸ | ITGAL | P20701 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | TAF1 | P21675 | 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 | |
|---|---|---|---|---|
| SCHEMBL7977683 | 0.73 | AHR (0.43) | AHRKEAP1NR3C1PGRNR3C2 | |
| SCHEMBL29521075 | 0.70 | NOS1 (0.50) | — | |
| SCHEMBL29364263 | 0.69 | AHR (0.56) | AHRKEAP1NR3C1PGRNR3C2 | |
| SCHEMBL129649 | 0.69 | AHR (0.56) | AHRKEAP1NR3C1PGRNR3C2 | |
| SCHEMBL3793079 | 0.68 | AHR (0.50) | AHRKEAP1NR3C1PGRNR3C2 | |
| SCHEMBL31492457 | 0.68 | AHR (0.60) | AHRKEAP1NR3C1PGRNR3C2 | |
| SCHEMBL8278659 | 0.67 | ALDH1A1 (0.44) | KEAP1 | |
| Methane SCHEMBL27911669 | 0.67 | AHR (0.54) | AHRKEAP1NR3C1PGRNR3C2 | |
| SCHEMBL1145354 | 0.67 | ALDH1A1 (0.44) | KEAP1 | |
| SCHEMBL6773353 | 0.67 | KDM4E (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3484871-B1 | PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) | SYROS PHARMACEUTICALS INC (US) | 2023-06-07 | — | — | EP | disclosed |