Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | UBE2N | P61088 | 1/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 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 | |
|---|---|---|---|---|
| SCHEMBL29929388 | 1.00 | CYP3A4 (0.42) | CYP3A4DRD2SLC6A2HTR2AHTR2C | |
| SCHEMBL28897148 | 0.93 | CYP3A4 (0.42) | CYP3A4DRD2SLC6A2HTR2AHTR2C | |
| SCHEMBL14883425 | 0.84 | CYP3A4 (0.54) | CYP3A4DRD2SLC6A2HTR2AHTR2C | |
| SCHEMBL14487988 | 0.83 | CYP3A4 (0.45) | CYP3A4DRD2SLC6A2HTR2AHTR2C | |
| SCHEMBL18995268 | 0.82 | BRD4 (0.51) | CYP3A4DRD2SLC6A2HTR2AHTR2C | |
| SCHEMBL29604793 | 0.82 | CA1 (0.46) | CYP3A4DRD2SLC6A2HTR2AHTR2C | |
| SCHEMBL1666223 | 0.82 | CA1 (0.46) | CYP3A4DRD2SLC6A2HTR2AHTR2C | |
| SCHEMBL21886189 | 0.82 | CYP3A4 (0.46) | CYP3A4DRD2SLC6A2HTR2AHTR2C | |
| SCHEMBL31150811 | 0.82 | BRD4 (0.51) | CYP3A4DRD2SLC6A2HTR2AHTR2C | |
| SCHEMBL29200258 | 0.82 | DRD2 (0.37) | CYP3A4DRD2SLC6A2HTR2AHTR2C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117417355-A | Fused heterocyclic compound, preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-01-19 | — | — | CN | disclosed |
| CN-110637022-B | Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication | 共晶制药公司 | 2022-09-16 | — | — | CN | disclosed |
| CN-110637022-A | Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication | 共晶制药公司 | 2019-12-31 | — | — | CN | disclosed |