Known targets — ChEMBL curated mechanism
SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A
The experimentally established mechanism targets of Phenytoin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A known ✓ | P35498 | 1/20 | 0.58 |
| ▸ | SCN4A known ✓ | P35499 | 1/20 | 0.58 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.58 |
| ▸ | SCN2A known ✓ | Q99250 | 1/20 | 0.58 |
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | HRH1 | P35367 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.58 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Mephenytoin SCHEMBL21768 | 0.87 | CYP2C19 (1.00) | CYP2C19TSHRLMNAGAAFPR2 | |
| Mephenytoin SCHEMBL21766 | 0.87 | CYP2C19 (1.00) | CYP2C19TSHRLMNAGAAFPR2 | |
| Phenobarbital SCHEMBL6426618 | 0.84 | CYP2C19 (0.76) | CYP2C19TSHRLMNAFPR2 | |
| Mephenytoin SCHEMBL4778454 | 0.83 | CYP2C19 (0.91) | CYP2C19TSHRALDH1A1LMNAGAA | |
| Mephenytoin SCHEMBL17396223 | 0.78 | CYP2C19 (0.74) | CYP2C19TSHRMAPTLMNAGAA | |
| Phenytoin SCHEMBL5499612 | 0.76 | CYP2C9 (1.00) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| Phenytoin SCHEMBL3440 | 0.76 | CYP2C9 (1.00) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| Phenytoin SCHEMBL23533429 | 0.76 | CYP2C9 (0.71) | TSHRCYP2C9CACNA1FALDH1A1MAPT | |
| SCHEMBL4123231 | 0.75 | ADAM17 (0.62) | CYP2C19TSHRCYP2C9CACNA1FALDH1A1 | |
| SCHEMBL3400918 | 0.75 | ADAM17 (0.62) | CYP2C19TSHRCYP2C9CACNA1FALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |
| EP-2699572-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| EP-2699579-A1 | PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143144-A1 | PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |
| WO-2012143143-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |
| EP-0454773-A1 | NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS | Bundgaard, Hans (DK) | 1991-11-06 | — | — | EP | disclosed |
| WO-1990008128-A1 | NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS | BUNDGAARD HANS (DK) | 1990-07-26 | — | — | WO | disclosed |