Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL514630 | 0.98 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL8576872 | 0.86 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL7534958 | 0.78 | TSHR (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL22253446 | 0.78 | TSHR (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL224653 | 0.78 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL100732 | 0.78 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL29700306 | 0.78 | ALDH1A1 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL30320250 | 0.78 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL14998080 | 0.78 | ALDH1A1 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL6414322 | 0.78 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109824559-A | A method of by one fluorine methyl mercapto compound of Bunte salt synthesizing aryl | 南京理工大学 | 2019-05-31 | — | — | CN | disclosed |