Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28398612 | 0.82 | ALDH1A1 (0.39) | ALDH1A1GAAPBRM1SMN1; SMN2POLB | |
| SCHEMBL27836981 | 0.79 | TSHR (0.42) | GAAPBRM1MIFLMNASMN1; SMN2 | |
| SCHEMBL1200547 | 0.79 | TSHR (0.42) | GAAPBRM1MIFLMNASMN1; SMN2 | |
| SCHEMBL5688135 | 0.78 | — | — | |
| SCHEMBL14485033 | 0.77 | ALDH1A1 (0.43) | ALDH1A1GAAPBRM1MIFLMNA | |
| SCHEMBL1789913 | 0.75 | ALDH1A1 (0.47) | ALDH1A1GAAPBRM1LMNASMN1; SMN2 | |
| SCHEMBL5317124 | 0.75 | ALDH1A1 (0.47) | ALDH1A1GAAPBRM1LMNASMN1; SMN2 | |
| SCHEMBL29170906 | 0.75 | ALDH1A1 (0.51) | ALDH1A1GAAPBRM1LMNASMN1; SMN2 | |
| SCHEMBL18062411 | 0.75 | CA12 (0.48) | ALDH1A1MIFCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1472635 | 0.75 | CA12 (0.48) | ALDH1A1MIFCYP1A2CYP2D6CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103936665-B | A kind of synthetic method of 4-substituted piperidine derivative | 中国人民解放军63975部队 | 2016-08-17 | — | — | CN | disclosed |