Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31345281 | 0.86 | HSP90AA1 (0.44) | GPR3HSP90AA1HSP90AB1CYP1A2CYP2A6 | |
| SCHEMBL12325069 | 0.83 | HSP90AA1 (0.56) | GPR3HSP90AA1HSP90AB1CYP1A2CYP2A6 | |
| SCHEMBL28492019 | 0.81 | GPR3 (0.46) | GPR3CYP1A2CYP2A6ABL1ABCB1 | |
| SCHEMBL30629141 | 0.79 | NPC1 (0.50) | GPR3HSP90AA1HSP90AB1CYP1A2CYP2A6 | |
| SCHEMBL9026003 | 0.79 | GPR3 (0.45) | GPR3HSP90AA1HSP90AB1CYP1A2CYP2A6 | |
| SCHEMBL9732916 | 0.77 | CYP2A6 (0.50) | HSP90AA1HSP90AB1CYP1A2CYP2A6ABL1 | |
| SCHEMBL28809671 | 0.77 | ELANE (0.47) | CYP1A2CYP2A6MEN1KMT2AMAPK1 | |
| SCHEMBL29132917 | 0.76 | ALDH1A1 (0.46) | GPR3CYP1A2CYP2A6ABL1ABCB1 | |
| SCHEMBL7906452 | 0.76 | HSP90AA1 (0.50) | GPR3HSP90AA1HSP90AB1CYP1A2CYP2A6 | |
| SCHEMBL30883375 | 0.76 | S100A4 (0.48) | GPR3MEN1KMT2ATSHRPTPN1 |
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-119306735-A | Organic compound, application thereof and organic electroluminescent device | 北京鼎材科技有限公司 | 2025-01-14 | — | — | CN | disclosed |