Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | GBA1 | P04062 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28670237 | 0.86 | CYP2C19 (0.55) | ALDH1A1NPSR1CA12CA9GBA1 | |
| SCHEMBL28663620 | 0.86 | ALDH1A1 (0.53) | ALDH1A1NPSR1MEN1KMT2ACA12 | |
| SCHEMBL28655934 | 0.83 | CA1 (0.49) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL17661788 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL18221872 | 0.81 | ALDH1A1 (0.62) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL17206070 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL28552064 | 0.79 | CA12 (0.50) | ALDH1A1NPSR1MEN1KMT2ACA12 | |
| SCHEMBL855612 | 0.79 | ALDH1A1 (0.63) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL17651669 | 0.78 | CA12 (0.49) | ALDH1A1NPSR1MEN1KMT2ACA12 | |
| SCHEMBL17651667 | 0.78 | CA12 (0.49) | ALDH1A1NPSR1MEN1KMT2ACA12 |
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-112479968-B | Synthetic method for preparing 2-methylpyrrolidine compound by catalyzing hydroamination reaction | 南通大学 | 2021-11-12 | — | — | CN | claimed |
| CN-112457234-B | Visible light promoted synthesis method of 2-selenomethylpyrrolidine compound | 南通大学 | 2021-10-22 | — | — | CN | claimed |
| CN-112479968-B | Synthetic method for preparing 2-methylpyrrolidine compound by catalyzing hydroamination reaction | 南通大学 | 2021-11-12 | — | — | CN | disclosed |
| CN-112457234-B | Visible light promoted synthesis method of 2-selenomethylpyrrolidine compound | 南通大学 | 2021-10-22 | — | — | CN | disclosed |
| CN-112479968-A | Synthetic method for preparing 2-methylpyrrolidine compound by catalyzing hydroamination reaction | 南通大学 | 2021-03-12 | — | — | CN | disclosed |
| CN-112457234-A | Visible light promoted synthesis method of 2-selenomethylpyrrolidine compound | 南通大学 | 2021-03-09 | — | — | CN | disclosed |