Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | HTR5A | P47898 | 2/20 | 0.40 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ROS1 | P08922 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28267352 | 0.92 | CYP1A2 (0.41) | SMN1; SMN2HTTGAAAKR1B1HTR5A | |
| SCHEMBL18947725 | 0.90 | PDK2 (0.50) | SMN1; SMN2HTTGAAAKR1B1HTR5A | |
| SCHEMBL30661290 | 0.90 | PDK2 (0.50) | SMN1; SMN2HTTGAAAKR1B1HTR5A | |
| SCHEMBL31606144 | 0.88 | PDE7A (0.41) | SMN1; SMN2HTTGAAAKR1B1HTR5A | |
| SCHEMBL31606210 | 0.84 | AKR1B1 (0.35) | GAAAKR1B1CSNK1G1MAPTALDH1A1 | |
| SCHEMBL31606058 | 0.84 | PGR (0.40) | AKR1B1CSNK1G1MAPTALDH1A1KDM4E | |
| SCHEMBL7433946 | 0.83 | PDK2 (0.57) | AKR1B1ACVR1CYP3A4MMP12CYP1A2 | |
| SCHEMBL15221224 | 0.83 | AKR1B1 (0.37) | SMN1; SMN2HTTGAAAKR1B1HTR5A | |
| SCHEMBL359447 | 0.81 | CYP3A4 (0.46) | SMN1; SMN2HTTGAAAKR1B1HTR5A | |
| SCHEMBL31147116 | 0.81 | CYP3A4 (0.46) | SMN1; SMN2HTTGAAAKR1B1HTR5A |
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-112142725-A | Organic electroluminescent material based on xanthone and application thereof in preparing OLED (organic light emitting diode) | 华南理工大学 | 2020-12-29 | — | — | CN | disclosed |