Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1921149 | 1.00 | KMT2A (0.44) | KMT2ACTSSCTSKSLC7A5MME | |
| SCHEMBL1921150 | 1.00 | KMT2A (0.44) | KMT2ACTSSCTSKSLC7A5MME | |
| SCHEMBL13494499 | 0.88 | SLC7A5 (0.44) | SLC7A5PTGS1PTGS2CYP2C9CYP2C19 | |
| SCHEMBL17338896 | 0.88 | ESRRG (0.37) | KMT2ACTSSCTSKSLC7A5MME | |
| SCHEMBL17338899 | 0.88 | ESRRG (0.37) | KMT2ACTSSCTSKSLC7A5MME | |
| SCHEMBL1919196 | 0.88 | ESR1 (0.56) | KMT2ACTSSCTSKSLC7A5MME | |
| SCHEMBL23306974 | 0.85 | ESR1 (0.44) | KMT2ACTSSCTSKSLC7A5MME | |
| SCHEMBL13494459 | 0.85 | SLC7A5 (0.48) | CTSSCTSKSLC7A5MMEALDH1A1 | |
| SCHEMBL1919093 | 0.85 | SLC7A5 (0.48) | CTSSCTSKSLC7A5MMEALDH1A1 | |
| SCHEMBL1918994 | 0.85 | ESR1 (0.48) | KMT2APTGS1PTGS2CYP2C9CYP2C19 |
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-107428682-B | Amide derivatives, preparation method and medical application thereof | 浙江海正药业股份有限公司 | 2021-02-02 | — | — | CN | disclosed |
| CN-107428682-A | Amide derivatives, its preparation method and its purposes in medicine | 浙江海正药业股份有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-106336387-A | Amides derivative, preparation method thereof and purpose of amides derivative on medicine | 浙江海正药业股份有限公司 | 2017-01-18 | — | — | CN | disclosed |