Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
| ▸ | AKT2 | P31751 | 2/20 | 0.33 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11052959 | 0.74 | TDP1 (0.37) | CYP1A2NFKB1NFKB2RELAF3 | |
| SCHEMBL11383241 | 0.73 | MEN1 (0.31) | ALDH1A1LMNAMAPT | |
| SCHEMBL6745371 | 0.72 | ALDH1A1 (0.37) | CYP1A2AKT1AKT2AKT3NFKB1 | |
| SCHEMBL28066368 | 0.69 | CYP1A2 (0.44) | CYP1A2F3ALDH1A1HTTLMNA | |
| Methylamine SCHEMBL28226585 | 0.69 | ALDH1A1 (0.35) | CYP1A2AKT1AKT2AKT3NFKB1 | |
| SCHEMBL9407205 | 0.67 | — | — | |
| SCHEMBL6514388 | 0.65 | ALDH1A1 (0.35) | CYP1A2F3ALDH1A1HTTPIM1 | |
| SCHEMBL4622061 | 0.65 | — | — | |
| SCHEMBL28248584 | 0.65 | ALDH1A1 (0.35) | CYP1A2NFKB1NFKB2RELAF3 | |
| SCHEMBL31633218 | 0.63 | CYP1A2 (0.48) | CYP1A2NFKB1NFKB2RELAF3 |
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-107235886-A | The synthetic method of 2,3 pyrrolin rings | 合肥工业大学 | 2017-10-10 | — | — | CN | disclosed |