Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 6/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.53 |
| ▸ | TNF | P01375 | 1/20 | 0.53 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7815689 | 0.83 | CYP11B1 (0.51) | CYP11B1CYP11B2TNFKDM4CSMN1; SMN2 | |
| SCHEMBL21595718 | 0.79 | L3MBTL1 (0.56) | SMN1; SMN2HTTLMNAGAATSHR | |
| SCHEMBL27452147 | 0.77 | KDM4E (0.38) | SMN1; SMN2GAAADORA2API4KAPI4K2B | |
| SCHEMBL325140 | 0.76 | HDAC1 (0.61) | CYP11B1CYP11B2TNFKDM4CSMN1; SMN2 | |
| SCHEMBL782938 | 0.75 | YTHDC1 (0.53) | CYP11B1CYP11B2TNFSMN1; SMN2HTT | |
| SCHEMBL29601245 | 0.75 | YTHDC1 (0.47) | CYP11B1CYP11B2TNFSMN1; SMN2HTT | |
| SCHEMBL183167 | 0.75 | YTHDC1 (0.47) | CYP11B1CYP11B2TNFSMN1; SMN2HTT | |
| SCHEMBL29601155 | 0.73 | KDM4E (0.35) | — | |
| SCHEMBL31229158 | 0.72 | CYP11B1 (0.62) | CYP11B1CYP11B2TNFKDM4CSMN1; SMN2 | |
| SCHEMBL13837867 | 0.70 | STAT6 (0.49) | CYP11B1CYP11B2TNFYTHDC1HTR6 |
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-109608462-A | A kind of 7- alkyl -9- alcoxyl/mercaptopurine -8- ketone compounds and its synthetic method and the application in drug | 华南理工大学 | 2019-04-12 | — | — | CN | disclosed |