Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.45 |
| ▸ | USP2 | O75604 | 11/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28287317 | 0.86 | SMN1; SMN2 (0.41) | CYP1A2CYP3A4USP2CYP2C19ALDH1A1 | |
| SCHEMBL21383155 | 0.82 | GAA (0.42) | CYP1A2CYP3A4CYP2C19ALDH1A1LMNA | |
| SCHEMBL26215698 | 0.75 | GRIA2 (0.34) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL29636068 | 0.72 | GRIN1 (0.43) | CYP1A2CYP3A4USP2ALDH1A1CYP2C9 | |
| SCHEMBL28736309 | 0.72 | GRIN1 (0.43) | CYP1A2CYP3A4USP2ALDH1A1CYP2C9 | |
| SCHEMBL24728557 | 0.70 | BRD4 (0.45) | LMNA | |
| SCHEMBL16793562 | 0.70 | RPS6KA5 (0.33) | CYP1A2CYP3A4ALDH1A1TSHRCYP2D6 | |
| SCHEMBL28285894 | 0.69 | CYP1A2 (0.43) | CYP1A2CYP3A4USP2CYP2C19ALDH1A1 | |
| SCHEMBL7679422 | 0.66 | CYP3A4 (0.38) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL10506438 | 0.64 | HPRT1 (0.48) | ALDH1A1TSHRLMNAPOLBKDM4E |
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-109641904-A | The sulphur imido acyl group purine ketone compound that 7- for treating and preventing virus infection replaces | 豪夫迈·罗氏有限公司 | 2019-04-16 | — | — | CN | disclosed |