Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | WEE1 | P30291 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31449884 | 0.88 | MEN1 (0.47) | GPR3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30125062 | 0.85 | GPR3 (0.52) | GPR3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12325065 | 0.82 | CA1 (0.50) | GPR3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30504305 | 0.78 | KMT2A (0.45) | GPR3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22950467 | 0.78 | KMT2A (0.45) | GPR3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30655606 | 0.78 | GPR3 (0.42) | GPR3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20687373 | 0.77 | S100A4 (0.44) | GPR3TSHRMEN1KMT2APTPN1 | |
| SCHEMBL12325069 | 0.76 | HSP90AA1 (0.56) | GPR3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL17782985 | 0.76 | PTPN1 (0.54) | GPR3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28857306 | 0.75 | CYP1A1 (0.56) | GPR3CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021018270-A1 | HOST COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | 浙江华显光电科技有限公司 | 2021-02-04 | — | — | WO | disclosed |