Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL199801 | 0.85 | GABRA1 (0.42) | ALDH1A1TRPA1GABRA1GABRB2KDM4E | |
| SCHEMBL31684003 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TRPA1GABRA1GABRB2KDM4E | |
| SCHEMBL6285174 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TRPA1GABRA1GABRB2KDM4E | |
| SCHEMBL15083368 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TRPA1GABRA1GABRB2KDM4E | |
| SCHEMBL31550782 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL2834212 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TRPA1KDM4EHPGDHSD17B10 | |
| SCHEMBL11575272 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TRPA1GABRA1GABRB2KDM4E | |
| SCHEMBL64141 | 0.76 | — | — | |
| SCHEMBL2500374 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TRPA1GABRA1GABRB2KDM4E | |
| SCHEMBL9772142 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TRPA1GABRA1GABRB2KDM4E |
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-109369504-A | The preparation method of sulfur-bearing 3- methylene 1-isoindolinone derivative | 温州大学 | 2019-02-22 | — | — | CN | disclosed |