Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | THPO | P40225 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL96139 | 0.81 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL28469893 | 0.80 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL10768214 | 0.80 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL6777687 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL97269 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL23315066 | 0.77 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL2386 | 0.76 | CYP2C19 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL17911731 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL9784153 | 0.76 | NPSR1 (0.63) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL16932815 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19THPO |
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-114716296-B | Efficient halogenation synthesis method of alkyl halide | 润药仁智(北京)科技有限公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-114716296-A | Efficient halogenation synthesis method of alkyl halide | 北京大学 | 2022-07-08 | — | — | CN | disclosed |