Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HMGCR | P04035 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CPT2 | P23786 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1101154 | 0.83 | ARG2 (0.40) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL509976 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL681316 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL10512288 | 0.76 | ALDH1A1 (0.40) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL10508109 | 0.72 | ALDH1A1 (0.42) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL10508105 | 0.72 | ALDH1A1 (0.42) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL3146213 | 0.72 | ARG2 (0.45) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL3146220 | 0.72 | ARG2 (0.45) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL26361 | 0.71 | ALDH1A1 (0.45) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL10589741 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106431889-A | Synthesizing method for acetone dicarboxylic acid as atropine drug intermediate | 厦门市凯尔利信息科技有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-105503603-A | Method for synthesizing atropine drug intermediate acetonedicarboxylic acid | CHENGDU QIANYE LONGHUA PETROLEUM ENG TECH CONSULTING CO LTD | 2016-04-20 | — | — | CN | disclosed |