Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.78 |
| ▸ | HPGD | P15428 | 2/20 | 0.78 |
| ▸ | KLK7 | P49862 | 1/20 | 0.78 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PPOX | P50336 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.34 |
| ▸ | HTR2C | P28335 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9819024 | 0.84 | KDM4E (0.61) | ALDH1A1KDM4EHPGDKLK7NPSR1 | |
| SCHEMBL22714557 | 0.83 | KDM4E (0.58) | ALDH1A1KDM4EHPGDKLK7RAB9A | |
| SCHEMBL22714572 | 0.73 | KDM4E (0.77) | ALDH1A1KDM4EHPGDKLK7HTT | |
| SCHEMBL11024058 | 0.73 | KDM4E (0.78) | ALDH1A1KDM4EHPGDKLK7HTT | |
| SCHEMBL12264118 | 0.73 | KDM4E (0.78) | ALDH1A1KDM4EHPGDKLK7HTT | |
| SCHEMBL4096555 | 0.72 | KDM4E (0.63) | ALDH1A1KDM4EHPGDKLK7PPOX | |
| SCHEMBL67751 | 0.72 | KDM4E (0.54) | ALDH1A1KDM4EHPGDKLK7HTT | |
| SCHEMBL31355203 | 0.72 | KDM4E (0.54) | ALDH1A1KDM4EHPGDKLK7HTT | |
| SCHEMBL9819009 | 0.72 | PBRM1 (0.50) | ALDH1A1KDM4EHPGDKLK7HTT | |
| SCHEMBL22714620 | 0.70 | KDM4E (0.59) | ALDH1A1KDM4EHPGDKLK7HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020239656-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF HEPATITIS B | GALAPAGOS NV (BE) | 2020-12-03 | — | — | WO | disclosed |
| WO-2020239656-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF HEPATITIS B | GALAPAGOS NV (BE) | 2020-12-03 | — | — | WO | disclosed |