Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.34 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | LDHB | P07195 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9910776 | 0.82 | BCAT2 (0.43) | PTGS2ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL6918591 | 0.79 | AKR1C3 (0.46) | PTGS2ALDH1A1MAPTTSHRMAPK1 | |
| SCHEMBL28119077 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MAPTHSD17B10LDHALDHB | |
| SCHEMBL8089263 | 0.74 | PTGS2 (0.49) | PTGS2ALDH1A1MAPTTSHRMAPK1 | |
| SCHEMBL28228496 | 0.72 | PTGS2 (0.71) | PTGS2PTGS1MAPK14 | |
| Ammonia Solution, Strong SCHEMBL23908216 | 0.71 | PTGS2 (0.69) | PTGS2PTGS1MAPK14 | |
| SCHEMBL2231313 | 0.71 | ALDH1A1 (0.47) | PTGS2ALDH1A1MAPTTSHRMAPK1 | |
| SCHEMBL2781156 | 0.71 | PTGS2 (0.46) | PTGS2ALDH1A1MAPTTSHRMAPK1 | |
| SCHEMBL827163 | 0.69 | — | — | |
| SCHEMBL3988930 | 0.68 | PTGS2 (0.44) | PTGS2ALDH1A1MAPTTSHRMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106414443-B | Pyridopyrimidine dione derivative | 诺华股份有限公司 | 2018-10-26 | — | — | CN | claimed |
| CN-106414443-A | Pyridopyrimidinedione derivatives | 诺华股份有限公司 | 2017-02-15 | — | — | CN | claimed |
| CN-106414443-B | Pyridopyrimidine dione derivative | 诺华股份有限公司 | 2018-10-26 | — | — | CN | disclosed |
| CN-106414443-A | Pyridopyrimidinedione derivatives | 诺华股份有限公司 | 2017-02-15 | — | — | CN | disclosed |