Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.53 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 3/20 | 0.39 |
| ▸ | MMP13 | P45452 | 3/20 | 0.39 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Pyrrole SCHEMBL11485524 | 0.92 | C3AR1 (0.47) | PIN1C3AR1MEN1POLBKMT2A | |
| SCHEMBL2902418 | 0.83 | PIN1 (0.50) | PIN1C3AR1POLBMMP2MMP13 | |
| SCHEMBL11485521 | 0.79 | MMP2 (0.60) | C3AR1KMT2AMMP2MMP13MMP9 | |
| Sulfuric Acid SCHEMBL11728620 | 0.77 | PIN1 (0.44) | PIN1C3AR1POLBKMT2AMMP2 | |
| SCHEMBL12740593 | 0.74 | PIN1 (0.46) | PIN1MMP2KDM4EDAOHPGD | |
| SCHEMBL20630476 | 0.73 | PIN1 (0.46) | PIN1MMP2MMP13MMP1MMP9 | |
| SCHEMBL21925527 | 0.73 | PIN1 (0.46) | PIN1MMP2MMP13MMP1MMP9 | |
| SCHEMBL3057838 | 0.69 | PIN1 (1.00) | PIN1 | |
| SCHEMBL2897266 | 0.68 | LMNA (0.46) | MEN1KMT2AMMP2MMP1MMP9 | |
| SCHEMBL9938772 | 0.68 | MMP2 (0.71) | PIN1MMP2MMP13MMP1MMP9 |
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-107441048-A | A kind of A Lishatan esters pharmaceutical composition and the preparation containing the pharmaceutical composition and preparation method thereof | 深圳信立泰药业股份有限公司 | 2017-12-08 | — | — | CN | disclosed |
| CN-107441497-A | A kind of A Lishatan esters solid dispersions and preparation method thereof and the preparation containing the solid dispersions | 深圳信立泰药业股份有限公司 | 2017-12-08 | — | — | CN | disclosed |
| CN-106188012-A | A kind of A Lishatan ester crystallization and preparation method thereof and the pharmaceutical composition containing this crystallization | 深圳信立泰药业股份有限公司 | 2016-12-07 | — | — | CN | disclosed |