Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CASP6 | P55212 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 4/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | DNA2 | P51530 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | GRM6 | O15303 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL15717048 | 0.76 | ALDH1A1 (0.64) | ALDH1A1CASP6TDP1PARP1DNA2 | |
| SCHEMBL26691525 | 0.74 | NR4A2 (0.43) | ALDH1A1CASP6TDP1PIM3DNA2 | |
| SCHEMBL29583090 | 0.74 | NR4A2 (0.43) | ALDH1A1CASP6TDP1PIM3DNA2 | |
| SCHEMBL19871818 | 0.73 | PARP1 (0.45) | ALDH1A1PARP1KDM4EHSD17B10CYP3A4 | |
| SCHEMBL3179229 | 0.71 | TDP1 (0.46) | ALDH1A1CASP6TDP1PIM3ALOX15 | |
| SCHEMBL19449768 | 0.71 | CTSB (0.59) | ALDH1A1CASP6TDP1KDM4EALOX15 | |
| SCHEMBL29914820 | 0.71 | PARP1 (0.49) | ALDH1A1PARP1KDM4EARMAPT | |
| SCHEMBL1126793 | 0.69 | TDP1 (0.75) | ALDH1A1TDP1ALOX15HSD17B10CYP3A4 | |
| SCHEMBL893998 | 0.68 | TDP1 (0.55) | ALDH1A1CASP6TDP1PARP1KDM4E | |
| SCHEMBL30012694 | 0.68 | TDP1 (0.55) | ALDH1A1CASP6TDP1PARP1KDM4E |
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-2022224223-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES | NOVARTIS AG (CH) | 2022-10-27 | — | — | WO | disclosed |