Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | RYR2 | Q92736 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29913741 | 0.83 | KDM4E (0.42) | NOTUMKDM4EALDH1A1ALOX15CASP1 | |
| SCHEMBL28860038 | 0.83 | KDM4E (0.42) | NOTUMKDM4EALDH1A1ALOX15CASP1 | |
| SCHEMBL26923297 | 0.80 | CHRM4 (0.48) | NOTUMALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL18593252 | 0.78 | KDM4E (0.64) | NOTUMKDM4EALDH1A1ALOX15CASP1 | |
| SCHEMBL18593249 | 0.77 | NOTUM (0.64) | NOTUMKDM4ESHMT2MAPTKDM1A | |
| SCHEMBL21226552 | 0.75 | HDAC1 (0.43) | NOTUMKDM4EALDH1A1ALOX15CASP1 | |
| SCHEMBL15897911 | 0.68 | CHRM4 (0.48) | NOTUMALDH1A1KDM1A | |
| SCHEMBL7669092 | 0.68 | MAPT (0.43) | NOTUMALDH1A1MAPTKDM1ABCHE | |
| SCHEMBL21450553 | 0.68 | HDAC1 (0.43) | NOTUMKDM4EALDH1A1ALOX15CASP1 | |
| SCHEMBL3872624 | 0.68 | ESR2 (0.52) | — |
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-110114343-B | Pyrazolopyrimidine compounds and methods of use thereof | 豪夫迈·罗氏有限公司 | 2022-09-06 | — | — | CN | disclosed |