Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 10/20 | 0.57 |
| ▸ | PPARG | P37231 | 9/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | PPARD | Q03181 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 5/20 | 0.48 |
| ▸ | CTSS | P25774 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6484104 | 1.00 | PPARA (0.57) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7430468 | 0.91 | PPARG (0.55) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23927278 | 0.89 | PPARA (0.64) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23117326 | 0.89 | PPARG (0.53) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7757488 | 0.89 | PPARG (0.53) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15703436 | 0.88 | PPARA (0.57) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL880686 | 0.88 | PPARA (0.57) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3068819 | 0.88 | PPARA (0.60) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3068817 | 0.88 | PPARA (0.60) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3068814 | 0.88 | PPARA (0.60) | PPARAPPARGCYP1A2CYP2C9CYP2C19 |
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-3508476-A1 | AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION | Inst Of Radiation Medicine Chinese Acad Of Medical Sciences (CN) | 2019-07-10 | — | — | EP | disclosed |