Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.50 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1056361 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL29651353 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7607880 | 0.76 | CYP1A2 (0.83) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| Nerisopam SCHEMBL1004757 | 0.75 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| Nerisopam SCHEMBL8349837 | 0.75 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7234076 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7228807 | 0.74 | MAPK1 (0.45) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL2054177 | 0.74 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7227773 | 0.73 | MAPT (0.47) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7407689 | 0.73 | CYP1A2 (0.80) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011076946-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALZHEIMER | Universidad Del País Vasco (ES) | 2011-06-30 | — | — | WO | claimed |
| WO-2011076946-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALZHEIMER | Universidad Del País Vasco (ES) | 2011-06-30 | — | — | WO | disclosed |