Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ROS1 | P08922 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR5A | P47898 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31147116 | 0.92 | CYP3A4 (0.46) | CYP1A2POLBCYP3A4CYP2C19CSNK1G1 | |
| SCHEMBL359447 | 0.92 | CYP3A4 (0.46) | CYP1A2POLBCYP3A4CYP2C19CSNK1G1 | |
| SCHEMBL28510693 | 0.92 | SMN1; SMN2 (0.41) | CYP1A2POLBCYP3A4CYP2C19CSNK1G1 | |
| SCHEMBL31606058 | 0.88 | PGR (0.40) | CSNK1G1MAPTALDH1A1KDM4EHPGD | |
| SCHEMBL31606210 | 0.88 | AKR1B1 (0.35) | CYP1A2POLBCYP3A4CYP2C19CSNK1G1 | |
| SCHEMBL18947725 | 0.86 | PDK2 (0.50) | CSNK1G1ALDH1A1KDM4EAKR1B1GAA | |
| SCHEMBL19626168 | 0.86 | PDK2 (0.50) | CYP1A2POLBCYP3A4CYP2C19CSNK1G1 | |
| SCHEMBL30661290 | 0.86 | PDK2 (0.50) | CSNK1G1ALDH1A1KDM4EAKR1B1GAA | |
| SCHEMBL31606144 | 0.81 | PDE7A (0.41) | MAPTAKR1B1GAAHTTSMN1; SMN2 | |
| SCHEMBL31605984 | 0.81 | CYP1A2 (0.39) | CYP1A2POLBCYP3A4CYP2C19MAPT |
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-105712986-B | Metal complex with organic ligand and its purposes in OLED | 默克专利有限公司 | 2019-01-01 | — | — | CN | disclosed |