Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CLPP | Q16740 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28183273 | 0.87 | SMN1; SMN2 (0.33) | ALDH1A1HTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL28184098 | 0.86 | MAPK1 (0.39) | MAPK1CHRNB2CHRNA4ALDH1A1GAA | |
| SCHEMBL28184049 | 0.78 | DDB1 (0.38) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL28852897 | 0.76 | HSP90AA1 (0.40) | ALDH1A1SMN1; SMN2NPC1HSP90AA1RAB9A | |
| SCHEMBL28183316 | 0.74 | KDM4E (0.33) | SMN1; SMN2HSP90AA1 | |
| SCHEMBL9798195 | 0.70 | HPRT1 (0.47) | MAPK1CHRNB2CHRNA4ALDH1A1HTT | |
| SCHEMBL18207300 | 0.70 | TLR7 (0.53) | MAPK1ALDH1A1HSP90AA1MEN1KMT2A | |
| SCHEMBL28183235 | 0.67 | MAPK1 (0.38) | MAPK1CHRNB2CHRNA4ALDH1A1GAA | |
| SCHEMBL28183172 | 0.64 | DDB1 (0.38) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL18207249 | 0.64 | KDM4C (0.60) | MAPK1ALDH1A1HTTSMN1; SMN2MEN1 |
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-107580596-A | For treating and preventing the new sulphur imido acyl group purinone compound and derivative of virus infection | 豪夫迈·罗氏有限公司 | 2018-01-12 | — | — | CN | disclosed |