Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28548569 | 0.86 | ALDH1A1 (0.54) | ALDH1A1NPSR1SMN1; SMN2CA12CA9 | |
| SCHEMBL9577126 | 0.85 | ALDH1A1 (0.68) | CYP2C19ALDH1A1NPSR1LMNASMN1; SMN2 | |
| SCHEMBL28655934 | 0.81 | CA1 (0.49) | CYP2C19ALDH1A1CA12CA9CA1 | |
| SCHEMBL13630623 | 0.79 | CYP2C19 (0.59) | CYP2C19ALDH1A1NPSR1LMNASMN1; SMN2 | |
| SCHEMBL9281374 | 0.78 | CYP2C19 (0.67) | CYP2C19ALDH1A1NPSR1LMNASMN1; SMN2 | |
| SCHEMBL24926465 | 0.78 | CYP2C19 (0.58) | CYP2C19ALDH1A1NPSR1LMNASMN1; SMN2 | |
| SCHEMBL6098607 | 0.76 | PSIP1 (0.47) | CYP2C19ALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL11890046 | 0.75 | CYP2C19 (0.73) | CYP2C19ALDH1A1NPSR1LMNASMN1; SMN2 | |
| SCHEMBL10460023 | 0.75 | CYP2C19 (0.68) | CYP2C19ALDH1A1NPSR1LMNASMN1; SMN2 | |
| SCHEMBL28552064 | 0.75 | CA12 (0.50) | CYP2C19ALDH1A1NPSR1LMNAKDM4E |
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 3 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-112479968-B | Synthetic method for preparing 2-methylpyrrolidine compound by catalyzing hydroamination reaction | 南通大学 | 2021-11-12 | — | — | 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 |