Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CPN1 | P15169 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14431966 | 0.88 | ALDH1A1 (0.35) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL10266053 | 0.83 | CYP1A2 (0.38) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL1904748 | 0.81 | — | — | |
| SCHEMBL14599126 | 0.81 | — | — | |
| SCHEMBL4706834 | 0.81 | — | — | |
| SCHEMBL6855187 | 0.81 | NCF1 (0.35) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL2316879 | 0.79 | CPN1 (0.44) | KDM4EKMT2ACPN1CPB2 | |
| SCHEMBL2319485 | 0.79 | CPN1 (0.44) | KDM4EKMT2ACPN1CPB2 | |
| SCHEMBL13621551 | 0.79 | RIPK1 (0.37) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL28467709 | 0.79 | SMN1; SMN2 (0.50) | KDM4ECPN1CPB2ACE |
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-104284668-B | Essential oil of geranium for treating neurodegenerative diseases and its components | 以色列国家农业和农村发展部农业科研组织（ARO）（沃尔卡尼中心） | 2018-04-20 | — | — | CN | disclosed |
| CN-104284668-A | Essential oil of geranium for treating neurodegenerative diseases and its components | ISRAEL STATE | 2015-01-14 | — | — | CN | disclosed |
| CN-100335463-C | 4-acetoxypiperidine hydrochlorate preparation method | UNIV FUDAN AF HUASHAN HOSPITAL (CN) | 2007-09-05 | — | — | CN | disclosed |
| CN-1763007-A | A kind of preparation method of 4-acetoxyl group piperidine hydrochlorate | UNIV FUDAN AF HUASHAN HOSPITAL (CN) | 2006-04-26 | — | — | CN | disclosed |