Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9446993 | 0.83 | BRD4 (0.42) | BRD4ACHEALOX12MAPTHPGD | |
| SCHEMBL28252209 | 0.82 | L3MBTL1 (0.38) | CYP1A2CYP2D6KMT2AMEN1ALDH1A1 | |
| SCHEMBL11138492 | 0.80 | NOS1 (0.41) | ACHECYP1A2CYP2D6SIGMAR1 | |
| SCHEMBL11134484 | 0.80 | CYP19A1 (0.45) | ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28870087 | 0.78 | PDE5A (0.39) | HPGDTSHRCYP1A2CYP2D6 | |
| SCHEMBL11134630 | 0.77 | GRM2 (0.44) | BRD4ACHEALOX12MAPTHPGD | |
| SCHEMBL28047544 | 0.73 | HSD11B1 (0.42) | HPGDKMT2AMEN1ALDH1A1SIGMAR1 | |
| SCHEMBL11139943 | 0.72 | CYP1A2 (0.43) | ACHECYP1A2CYP2D6ALDH1A1SIGMAR1 | |
| SCHEMBL11135471 | 0.68 | CYP1A2 (0.71) | TSHRCYP1A2CYP2D6HTR1DHTR1B | |
| SCHEMBL15915023 | 0.68 | BRD4 (0.42) | BRD4MAPTHPGDTSHRFUCA1 |
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-108822037-A | A kind of method of efficient high atom economy synthesis imidazolidine derivatives | 复旦大学 | 2018-11-16 | — | — | CN | disclosed |
| CN-105218451-A | A kind of method of narrowing of rare earth catalyst ring Reactive Synthesis imidazolidine derivatives | UNIV FUDAN | 2016-01-06 | — | — | CN | disclosed |