Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CHRNE | Q04844 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14492834 | 0.89 | CYP19A1 (0.64) | CYP19A1CYP1A2CYP2C19P2RX4BACE1 | |
| SCHEMBL13433041 | 0.88 | PGR (0.46) | CYP19A1CYP1A2CYP2C19P2RX4NPSR1 | |
| SCHEMBL9405425 | 0.76 | CYP19A1 (0.53) | CYP19A1CYP1A2CYP2C19P2RX4BACE1 | |
| SCHEMBL12522752 | 0.73 | P2RX4 (0.44) | CYP19A1CYP1A2CYP2C19P2RX4KDM4E | |
| SCHEMBL29093444 | 0.72 | CHRNE (0.63) | CYP19A1CYP1A2CYP2C19NPSR1KDM4E | |
| SCHEMBL30616068 | 0.72 | P2RX4 (0.80) | CYP19A1P2RX4KDM4EALDH1A1 | |
| SCHEMBL30616063 | 0.72 | CHRNE (0.63) | CYP19A1CYP1A2CYP2C19NPSR1KDM4E | |
| SCHEMBL19155663 | 0.72 | P2RX4 (0.80) | CYP19A1P2RX4KDM4EALDH1A1 | |
| SCHEMBL14492825 | 0.72 | CYP19A1 (0.53) | CYP19A1CYP1A2CYP2C19P2RX4NPSR1 | |
| SCHEMBL24625817 | 0.72 | CYP19A1 (0.48) | CYP19A1CYP1A2CYP2C19P2RX4BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9935271-B2 | Organic electroluminescent device based on neutral free-radical electroluminescent material | JILIN UNIVERSTIY (CN) | 2018-04-03 | — | — | US | disclosed |