Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.36 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18426652 | 0.87 | ALDH1A1 (0.43) | ALDH1A1IDO1TDO2MAOAMAPK1 | |
| SCHEMBL20882027 | 0.86 | ALDH1A1 (0.37) | ALDH1A1IDO1TDO2MAOAMAPK1 | |
| SCHEMBL19141690 | 0.81 | ACHE (0.41) | ALDH1A1MAPK1MAPTHTTSMN1; SMN2 | |
| SCHEMBL5775168 | 0.80 | IDO1 (0.42) | ALDH1A1IDO1TDO2MAOAMAPK1 | |
| SCHEMBL18891619 | 0.77 | CYP1A2 (0.40) | ALDH1A1IDO1TDO2MAPK1MAPT | |
| SCHEMBL25982841 | 0.77 | IDO1 (0.40) | ALDH1A1IDO1TDO2MAPK1MAPT | |
| SCHEMBL2758515 | 0.77 | HDAC4 (0.53) | ALDH1A1IDO1TDO2MAOAMAPK1 | |
| SCHEMBL1774828 | 0.77 | LMNA (0.46) | ALDH1A1 | |
| SCHEMBL28721294 | 0.76 | ALDH1A1 (0.42) | ALDH1A1IDO1TDO2MAOAMAPK1 | |
| SCHEMBL26451860 | 0.76 | CYP3A4 (0.43) | ALDH1A1IDO1TDO2MAOAMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020239656-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF HEPATITIS B | GALAPAGOS NV (BE) | 2020-12-03 | — | — | WO | disclosed |