Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 11/20 | 0.48 |
| ▸ | CNR2 | P34972 | 9/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27691989 | 0.80 | DHFR (0.51) | CNR1CNR2 | |
| SCHEMBL17553833 | 0.79 | PDE4A (0.46) | CNR1CNR2PADI4PDE4APDE4B | |
| SCHEMBL21600842 | 0.79 | MEN1 (0.49) | CNR1CNR2HTR2AHTR2CPADI4 | |
| SCHEMBL31230200 | 0.79 | MEN1 (0.49) | CNR1CNR2HTR2AHTR2CPADI4 | |
| SCHEMBL4334349 | 0.78 | HTR2C (0.53) | CNR1CNR2HTR2AHTR2C | |
| SCHEMBL7291403 | 0.78 | CNR1 (0.60) | CNR1CNR2 | |
| SCHEMBL7291968 | 0.78 | CNR1 (0.62) | CNR1CNR2 | |
| SCHEMBL31370596 | 0.77 | PADI4 (0.47) | CNR1CNR2HTR2AHTR2CPADI4 | |
| SCHEMBL13949764 | 0.77 | CNR1 (0.48) | CNR1CNR2HTR2AHTR2CPADI4 | |
| SCHEMBL29071729 | 0.76 | ALDH1A1 (0.54) | — |
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-2017120429-A1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS Pharmasciences, Inc. (US) | 2017-07-13 | — | — | WO | disclosed |