Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1457070 | 1.00 | CYP3A4 (0.36) | CYP3A4ALDH1A1TDP1ABCB11NR3C1 | |
| SCHEMBL10436334 | 0.91 | ALDH1A1 (0.41) | CYP3A4ALDH1A1TDP1ABCB11NR3C1 | |
| SCHEMBL9742778 | 0.81 | MAPK1 (0.39) | CYP3A4TDP1MAPK1AHR | |
| SCHEMBL17650413 | 0.81 | ABCB11 (0.33) | CYP3A4ALDH1A1TDP1ABCB11NR3C1 | |
| SCHEMBL29668094 | 0.80 | ALDH1A1 (0.48) | CYP3A4ALDH1A1TDP1ABCB11NR3C1 | |
| SCHEMBL895789 | 0.80 | ALDH1A1 (0.48) | CYP3A4ALDH1A1TDP1ABCB11NR3C1 | |
| SCHEMBL3287519 | 0.78 | ABCB11 (0.34) | CYP3A4ALDH1A1TDP1ABCB11NR3C1 | |
| SCHEMBL17649244 | 0.78 | ALDH1A1 (0.37) | CYP3A4ALDH1A1TDP1ABCB11NR3C1 | |
| SCHEMBL1457299 | 0.77 | CYP3A4 (0.43) | CYP3A4ALDH1A1TDP1ABCB11NR3C1 | |
| SCHEMBL1969003 | 0.77 | TDP1 (0.47) | CYP3A4ALDH1A1TDP1HPGDMAPK1 |
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-112174903-B | Small molecule modulators of TLR8 | 清华大学 | 2022-07-12 | — | — | CN | disclosed |