Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 3/20 | 0.46 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | EP300 | Q09472 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8145766 | 0.78 | CYP1A2 (0.67) | CYP1A2CYP3A4BRD4BRPF1CREBBP | |
| SCHEMBL12031619 | 0.74 | HSD17B10 (0.46) | CYP1A2CYP3A4BRD4BRPF1CREBBP | |
| SCHEMBL2150911 | 0.71 | CYP1A2 (0.57) | CYP1A2CYP3A4BRD4BRPF1CREBBP | |
| SCHEMBL10058644 | 0.70 | HSD17B10 (0.71) | CYP1A2CYP3A4BRD4BRPF1CREBBP | |
| SCHEMBL2735408 | 0.70 | CYP1A2 (0.45) | CYP1A2CYP3A4BRD4BRPF1CREBBP | |
| SCHEMBL10025285 | 0.70 | CYP1A2 (0.45) | CYP1A2CYP3A4BRD4BRPF1CREBBP | |
| SCHEMBL29025896 | 0.69 | CYP1A2 (0.61) | CYP1A2CYP3A4BRD4BRPF1CREBBP | |
| SCHEMBL7482811 | 0.67 | NPSR1 (0.62) | CYP1A2CYP3A4BRD4BRPF1CREBBP | |
| SCHEMBL19149846 | 0.65 | CYP3A4 (0.48) | CYP1A2CYP3A4BRD4BRPF1CREBBP | |
| SCHEMBL21916084 | 0.64 | BRD4 (0.55) | CYP1A2CYP3A4BRD4BRPF1CREBBP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2468744-A2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-27 | — | — | EP | disclosed |