Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.49 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.49 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL25871487 | 0.82 | PAM (0.53) | HDAC1HDAC8CYP3A4CYP1B1KDM4E | |
| SCHEMBL28618838 | 0.82 | PAM (0.53) | HDAC1HDAC8CYP3A4CYP1B1KDM4E | |
| SCHEMBL10994368 | 0.81 | HDAC1 (0.65) | HDAC1HDAC8GRIK1GRIK2GRIK3 | |
| SCHEMBL10362602 | 0.81 | HDAC1 (0.65) | HDAC1HDAC8GRIK1GRIK2GRIK3 | |
| SCHEMBL10362601 | 0.81 | HDAC1 (0.65) | HDAC1HDAC8GRIK1GRIK2GRIK3 | |
| SCHEMBL28608513 | 0.79 | KMT2A (0.48) | GRIK1GRIK2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL3383400 | 0.78 | HDAC1 (0.74) | HDAC1HDAC8GRIK1GRIK2GRIK3 | |
| SCHEMBL29263633 | 0.78 | HDAC1 (0.59) | HDAC1HDAC8GRIK1GRIK2GRIK3 | |
| SCHEMBL3383401 | 0.78 | HDAC1 (0.74) | HDAC1HDAC8GRIK1GRIK2GRIK3 | |
| SCHEMBL28606283 | 0.78 | BCHE (0.58) | RELACYP3A4CYP1B1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112500270-B | Method for synthesizing alpha, alpha-difluoroketone compound | 台州学院 | 2023-03-07 | — | — | CN | disclosed |
| CN-112500270-A | Method for synthesizing alpha, alpha-difluoroketone compound | 台州学院 | 2021-03-16 | — | — | CN | disclosed |