Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | PKLR | P30613 | 1/20 | 0.54 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | CLK1 | P49759 | 2/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.48 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PTPRA | P18433 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30283891 | 0.85 | CYP19A1 (0.49) | PKMPKLRNPBWR1CYP19A1MAPT | |
| SCHEMBL15712649 | 0.81 | ELANE (0.62) | PKMPKLRNPBWR1CYP19A1CLK1 | |
| SCHEMBL31326013 | 0.81 | PKM (0.56) | PKMPKLRNPBWR1CLK1CDK5 | |
| SCHEMBL398147 | 0.81 | PKM (0.56) | PKMPKLRNPBWR1CLK1CDK5 | |
| SCHEMBL27510748 | 0.80 | PKM (0.54) | PKMPKLRNPBWR1CLK1CDK5 | |
| SCHEMBL14565383 | 0.77 | TSHR (0.60) | NPBWR1CYP19A1CDK5CDK5R1MAPT | |
| SCHEMBL2033426 | 0.77 | DAO (0.55) | PKMPKLRNPBWR1CLK1CDK5 | |
| SCHEMBL21630210 | 0.75 | IMPDH2 (0.53) | CLK1CDK5CDK5R1MAPTTSHR | |
| SCHEMBL9087198 | 0.75 | CDK4 (0.67) | PKMPKLRCLK1ELANE | |
| SCHEMBL28855265 | 0.74 | CLK1 (0.50) | PKMPKLRCLK1CDK5CDK5R1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020021024-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) | PHENEX PHARMACEUTICALS AG (DE) | 2020-01-30 | — | — | WO | disclosed |