Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | PLEC | Q15149 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8000704 | 0.79 | HPGD (0.37) | CYP1A2CYP2C9CYP2C19HPGDGAA | |
| SCHEMBL21991223 | 0.76 | PTPN5 (0.40) | CYP1A2CYP2C9CYP2C19GAAMAPT | |
| SCHEMBL20707057 | 0.75 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19TSHRCYP3A4 | |
| SCHEMBL19848691 | 0.75 | IDO1 (0.40) | TSHRCYP3A4RECQLSMN1; SMN2GAA | |
| SCHEMBL2499765 | 0.74 | CYP3A4 (0.64) | CYP1A2CYP2C9CYP2C19TSHRCYP3A4 | |
| SCHEMBL8348988 | 0.74 | RAPGEF4 (0.52) | TSHRCYP3A4RECQLHPGDSMN1; SMN2 | |
| SCHEMBL22791511 | 0.72 | CYP3A4 (0.39) | CYP1A2CYP2C9CYP2C19TSHRCYP3A4 | |
| SCHEMBL23519806 | 0.71 | CYP3A4 (0.36) | TSHRCYP3A4RECQL | |
| SCHEMBL20748447 | 0.71 | CYP3A4 (0.41) | CYP1A2CYP2C9CYP2C19TSHRCYP3A4 | |
| SCHEMBL12327201 | 0.71 | KDM4E (0.43) | CYP1A2CYP2C9CYP2C19TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3279997-A1 | NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY | Asahi Kasei Kabushiki Kaisha (JP) | 2018-02-07 | — | — | EP | disclosed |