Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28153198 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MAPTGFERKMT2APIK3CA | |
| SCHEMBL6391156 | 0.86 | BACE1 (0.40) | ALDH1A1MAPTGFERKMT2APIK3CA | |
| SCHEMBL30838421 | 0.81 | PIK3CA (0.44) | ALDH1A1PIK3CALMNA | |
| SCHEMBL13723947 | 0.79 | GFER (0.45) | ALDH1A1MAPTGFERKMT2APIK3CA | |
| SCHEMBL27917953 | 0.78 | KMT2A (0.41) | ALDH1A1MAPTGFERKMT2AHPGD | |
| SCHEMBL7497512 | 0.78 | ELANE (0.50) | ARELANE | |
| SCHEMBL27534007 | 0.78 | ELANE (0.50) | ARELANE | |
| SCHEMBL28845503 | 0.76 | ALDH1A1 (0.38) | ALDH1A1MAPTKMT2AHPGDLMNA | |
| Dimethylamine SCHEMBL28103398 | 0.76 | BACE1 (0.48) | ARCNR1ELANE | |
| SCHEMBL28153102 | 0.76 | LMNA (0.44) | ALDH1A1MAPTPIK3CAHPGDLMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109503465-A | A kind of preparation of Ropivacaine HCL intermediate and purification process | 河北品制药股份有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-103086954-A | Method for preparing ropivacaine | SHANDONG INST PHARMACEUTICAL INDUSTRY | 2013-05-08 | — | — | CN | claimed |
| CN-109503465-A | A kind of preparation of Ropivacaine HCL intermediate and purification process | 河北品制药股份有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-109503465-A | A kind of preparation of Ropivacaine HCL intermediate and purification process | 河北品制药股份有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-106928127-A | Substituted piperidine class amide derivatives and preparation method thereof and application pharmaceutically | 四川海思科制药有限公司 | 2017-07-07 | — | — | CN | disclosed |
| CN-103086954-A | Method for preparing ropivacaine | SHANDONG INST PHARMACEUTICAL INDUSTRY | 2013-05-08 | — | — | CN | disclosed |