Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL28298381 | 0.91 | NISCH (0.49) | NISCHCHRNB4CHRNA3ALDH1A1TSHR | |
| SCHEMBL9633955 | 0.86 | CHRNB4 (0.52) | NISCHCHRNB4CHRNA3TSHRLMNA | |
| SCHEMBL23658900 | 0.81 | NISCH (0.40) | NISCHCHRNB4CHRNA3ALDH1A1TSHR | |
| Nitric Acid SCHEMBL29203949 | 0.80 | NISCH (0.40) | NISCHCHRNB4CHRNA3ALDH1A1TSHR | |
| SCHEMBL29445992 | 0.73 | HPRT1 (0.78) | HPRT1ALDH1A1TSHRCYP2A6HSD17B10 | |
| SCHEMBL29769915 | 0.73 | HPRT1 (0.78) | HPRT1ALDH1A1TSHRCYP2A6HSD17B10 | |
| SCHEMBL593261 | 0.73 | HPRT1 (0.78) | HPRT1ALDH1A1TSHRCYP2A6HSD17B10 | |
| SCHEMBL30103588 | 0.71 | HPRT1 (0.74) | HPRT1ALDH1A1TSHRCYP2A6HSD17B10 | |
| SCHEMBL30021505 | 0.71 | HPRT1 (0.74) | HPRT1ALDH1A1TSHRCYP2A6HSD17B10 | |
| SCHEMBL30021848 | 0.71 | HPRT1 (0.74) | HPRT1ALDH1A1TSHRCYP2A6HSD17B10 |
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-109734643-B | Method for synthesizing pyrroline compound by catalyzing amino alcohol and enol with iron | 陕西师范大学 | 2021-05-14 | — | — | CN | disclosed |
| CN-109734643-A | The method that iron catalytic amino alcohol synthesizes pyrrolines with enol | 陕西师范大学 | 2019-05-10 | — | — | CN | disclosed |