Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28778241 | 1.00 | CYP1A2 (0.36) | CYP1A2CYP2C19SMN1; SMN2HIF1AMEN1 | |
| SCHEMBL29778146 | 0.81 | CYP11B2 (0.44) | CYP1A2CYP2C19SMN1; SMN2HIF1AMEN1 | |
| SCHEMBL29778151 | 0.80 | GRIN2D (0.54) | CYP1A2CYP2C19SMN1; SMN2HIF1AMEN1 | |
| SCHEMBL29778110 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2C19SMN1; SMN2HIF1AMEN1 | |
| SCHEMBL29037515 | 0.80 | GRIN2D (0.54) | CYP1A2CYP2C19SMN1; SMN2HIF1AMEN1 | |
| SCHEMBL29778147 | 0.79 | KDM4E (0.49) | MEN1KMT2AMAPTKDM4EHPGD | |
| SCHEMBL29037521 | 0.74 | ALDH1A1 (0.50) | CYP1A2CYP2C19SMN1; SMN2HIF1AMEN1 | |
| SCHEMBL29778097 | 0.74 | MAPT (0.50) | CYP1A2CYP2C19SMN1; SMN2HIF1AMEN1 | |
| SCHEMBL24289840 | 0.72 | KDM4E (0.62) | SMN1; SMN2MEN1KMT2AMAPTPOLB | |
| SCHEMBL28778229 | 0.72 | NPBWR1 (0.50) | EGLN1 |
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-114685384-B | Difluoromethyl reaction method and application thereof | 深圳大学 | 2023-07-14 | — | — | CN | disclosed |
| CN-114685384-A | Difluoromethyl reaction method and application thereof | 深圳大学 | 2022-07-01 | — | — | CN | disclosed |