Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.46 |
| ▸ | TOP2A | P11388 | 3/20 | 0.45 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | TOP1 | P11387 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21381239 | 0.87 | CYP2A6 (0.68) | HRH3TAAR1CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL13680605 | 0.85 | HRH3 (0.50) | HRH3TAAR1CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL24670424 | 0.85 | HRH3 (0.50) | HRH3TAAR1CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL19853627 | 0.83 | NQO2 (0.52) | CYP2C9CYP2C19TOP2ATOP2BALDH1A1 | |
| SCHEMBL2274647 | 0.78 | HRH3 (1.00) | HRH3TAAR1CYP2A6LOXL2ADRB2 | |
| SCHEMBL5452549 | 0.78 | HDAC3 (0.56) | ALDH1A1HPGDHSD17B10KDM4ENPC1 | |
| SCHEMBL15828 | 0.74 | HRH3 (0.79) | HRH3TAAR1LOXL2ADRB2ABAT | |
| SCHEMBL112138 | 0.73 | TAAR1 (1.00) | HRH3TAAR1CYP2A6LOXL2ADRB2 | |
| SCHEMBL34464672 | 0.72 | CA12 (0.57) | HRH3TAAR1CYP2A6LOXL2ALDH1A1 | |
| SCHEMBL4338939 | 0.71 | CALM1 (0.55) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 |
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-109705012-A | A kind of preparation method of 2,5- diaryl five-ring heterocycles aromatic hydrocarbons | 西北师范大学 | 2019-05-03 | — | — | CN | disclosed |