Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28352234 | 0.86 | BACE1 (0.36) | KDM4EBACE1CA1CA2CA4 | |
| SCHEMBL28356027 | 0.86 | SMN1; SMN2 (0.46) | KDM4EBACE1METAP1CA1CA2 | |
| SCHEMBL28352170 | 0.84 | NPC1 (0.35) | BACE1SMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL28260482 | 0.82 | LMNA (0.41) | KDM4ESMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL28355990 | 0.80 | CA1 (0.41) | KDM4ECA1CA2CA7CA9 | |
| SCHEMBL28355808 | 0.78 | SMN1; SMN2 (0.38) | KDM4EBACE1METAP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL28737932 | 0.78 | SMN1; SMN2 (0.48) | KDM4EBACE1METAP1CA1CA2 | |
| SCHEMBL28055448 | 0.78 | CA1 (0.42) | KDM4EBACE1METAP1CA1CA2 | |
| SCHEMBL28055447 | 0.78 | CA1 (0.42) | KDM4EBACE1METAP1CA1CA2 | |
| SCHEMBL30484594 | 0.78 | KDM4E (0.35) | KDM4EBACE1METAP1CA1CA2 |
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-108997183-B | Difluoromethylation reagent and preparation method and application thereof | 深圳大学 | 2020-02-07 | — | — | CN | claimed |
| CN-108997183-B | Difluoromethylation reagent and preparation method and application thereof | 深圳大学 | 2020-02-07 | — | — | CN | disclosed |