Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 1/20 | 0.59 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.47 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18570814 | 0.85 | CACNA1C (0.54) | CACNA1CMAPTL3MBTL1LMNAATM | |
| SCHEMBL12967549 | 0.83 | HSPB1 (0.54) | CACNA1CHSPB1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL1547577 | 0.81 | L3MBTL1 (0.53) | CACNA1CL3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8754808 | 0.81 | AR (0.49) | CACNA1CMAPTL3MBTL1LMNAATM | |
| SCHEMBL9339651 | 0.80 | HSPB1 (0.58) | HSPB1L3MBTL1LMNACYP1A2CYP2C19 | |
| SCHEMBL8298015 | 0.80 | HSPB1 (0.58) | HSPB1LMNASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL18570379 | 0.80 | CACNA1C (0.50) | CACNA1CMAPTL3MBTL1LMNAATM | |
| SCHEMBL22874669 | 0.79 | LTA4H (0.65) | CACNA1CL3MBTL1NQO1CYP1A2CYP2D6 | |
| SCHEMBL1749720 | 0.77 | MAPT (0.51) | HSPB1MAPTL3MBTL1LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL7027262 | 0.77 | CACNA1C (0.80) | CACNA1CMAPTL3MBTL1LMNAATM |
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-2015017502-A1 | PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2015-02-05 | — | — | WO | disclosed |