Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | BMP1 | P13497 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CDC42 | P60953 | 1/20 | 0.43 |
| ▸ | RAC1 | P63000 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10822232 | 0.81 | SRC (0.41) | PTGS1CYP1A2ALDH1A1MAPTTDP1 | |
| SCHEMBL836811 | 0.80 | NPY5R (0.49) | NPSR1BMP1AKR1C3AKR1C2PTGS2 | |
| SCHEMBL17603763 | 0.80 | BMP1 (0.43) | NPSR1LDHABMP1ACP3L3MBTL1 | |
| SCHEMBL1673370 | 0.80 | NPSR1 (0.43) | NPSR1BMP1AKR1C3AKR1C2PTGS2 | |
| SCHEMBL28637927 | 0.80 | BRD4 (0.41) | CYP1A2TSHRMAPT | |
| SCHEMBL2091000 | 0.80 | LDHA (0.49) | NPSR1LDHAAKR1C3AKR1C2PTGS2 | |
| SCHEMBL6349734 | 0.79 | TAS1R3 (0.43) | NPSR1LDHABMP1AKR1C3AKR1C2 | |
| SCHEMBL1673386 | 0.79 | ALOX5 (0.43) | NPSR1BMP1AKR1C3AKR1C2PTGS2 | |
| SCHEMBL5862818 | 0.77 | BMP1 (0.41) | NPSR1LDHABMP1L3MBTL1ALDH1A1 | |
| SCHEMBL11441436 | 0.77 | LDHA (0.50) | NPSR1LDHAAKR1C3AKR1C2PTGS2 |
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-107531653-B | Novel difluoroketoamide derivatives | 豪夫迈·罗氏有限公司 | 2021-10-19 | — | — | CN | disclosed |