Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28275897 | 1.00 | CA2 (0.45) | CA2MAPK1TSHRCA1GRIK1 | |
| SCHEMBL28300284 | 1.00 | CA2 (0.45) | CA2MAPK1TSHRCA1GRIK1 | |
| SCHEMBL28244663 | 0.90 | CHRM1 (0.44) | CA2MAPK1TSHRGRIK1GRIK2 | |
| SCHEMBL28291170 | 0.90 | CHRM1 (0.44) | CA2MAPK1TSHRGRIK1GRIK2 | |
| SCHEMBL28094716 | 0.89 | CA2 (0.45) | CA2MAPK1TSHRCA1GRIK1 | |
| SCHEMBL28093195 | 0.87 | GRIK1 (0.43) | CA2MAPK1TSHRCA1GRIK1 | |
| SCHEMBL28206365 | 0.85 | CA2 (0.47) | CA2MAPK1TSHRCA1GRIK1 | |
| SCHEMBL28175934 | 0.85 | TDP1 (0.48) | CA2MAPK1TSHRCA1GRIK1 | |
| SCHEMBL28211999 | 0.84 | GRIK1 (0.43) | CA2MAPK1TSHRGRIK1GRIK2 | |
| SCHEMBL28244000 | 0.84 | GRIK1 (0.43) | CA2MAPK1TSHRGRIK1GRIK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831732-A | The composition and method of pyrimidine and pyridine compounds of the production with BTK inhibitory activity | 默克专利有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-103814016-B | Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity | 默克专利有限公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-103702980-B | Cyclic amine derivatives as EP 4 receptor antagonists | 罗达制药生物技术有限责任公司 | 2016-10-05 | — | — | CN | disclosed |