Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10138096 | 0.86 | CYP1A2 (0.67) | CYP1A2CYP3A4NPSR1ALDH1A1MAPK1 | |
| SCHEMBL8352639 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP3A4NPSR1ALDH1A1MAPK1 | |
| SCHEMBL31495905 | 0.75 | GPR35 (0.45) | CYP1A2CYP3A4ALDH1A1MAPK1HSD17B10 | |
| SCHEMBL3285995 | 0.73 | CYP1A2 (0.76) | CYP1A2CYP3A4NPSR1ALDH1A1MAPK1 | |
| SCHEMBL14123121 | 0.71 | CYP1A2 (0.68) | CYP1A2CYP3A4NPSR1ALDH1A1MAPK1 | |
| SCHEMBL10877244 | 0.67 | L3MBTL1 (0.50) | CYP1A2CYP3A4NPSR1ALDH1A1MAPK1 | |
| SCHEMBL24709647 | 0.66 | CYP1A2 (0.50) | CYP1A2CYP3A4NPSR1ALDH1A1MAPK1 | |
| SCHEMBL19149846 | 0.62 | CYP3A4 (0.48) | CYP1A2CYP3A4NPSR1ALDH1A1BRD4 | |
| SCHEMBL11893177 | 0.60 | CYP3A4 (0.46) | CYP1A2CYP3A4NPSR1ALDH1A1BRD4 | |
| SCHEMBL30932977 | 0.60 | CYP3A4 (0.46) | CYP1A2CYP3A4NPSR1ALDH1A1BRD4 |
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-105418476-A | Synthesis method for 2-formyl-3,4-dimethyl-5-acetyl pyrrole | UNIV CHANGZHOU | 2016-03-23 | — | — | CN | claimed |
| CN-105418476-A | Synthesis method for 2-formyl-3,4-dimethyl-5-acetyl pyrrole | UNIV CHANGZHOU | 2016-03-23 | — | — | CN | disclosed |
| CN-105418476-A | Synthesis method for 2-formyl-3,4-dimethyl-5-acetyl pyrrole | UNIV CHANGZHOU | 2016-03-23 | — | — | CN | disclosed |