Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL9216691 | 0.92 | MAP3K14 (0.36) | CYP3A4CYP2C9SLC6A4SLC6A3THRB | |
| SCHEMBL9835917 | 0.90 | SLC6A4 (0.41) | CYP3A4CYP2C9SLC6A4SLC6A3THRB | |
| Sulfuric Acid SCHEMBL9212923 | 0.87 | CYP3A4 (0.33) | CYP3A4CYP2C9SLC6A4SLC6A3THRB | |
| Sulfuric Acid SCHEMBL9212918 | 0.86 | MAP3K14 (0.33) | CYP3A4CYP2C9SLC6A4SLC6A3THRB | |
| SCHEMBL9835436 | 0.83 | SLC6A4 (0.43) | CYP3A4CYP2C9SLC6A4SLC6A3THRB | |
| SCHEMBL9662300 | 0.82 | CYP3A4 (0.39) | CYP3A4CYP2C9SLC6A4SLC6A3THRB | |
| SCHEMBL9664109 | 0.79 | CYP3A4 (0.38) | CYP3A4CYP2C9SLC6A4SLC6A3THRB | |
| SCHEMBL10885411 | 0.78 | SLC6A4 (0.44) | CYP3A4CYP2C9SLC6A4SLC6A3THRB | |
| SCHEMBL8804298 | 0.78 | CYP3A4 (0.43) | CYP3A4CYP2C9SLC6A4SLC6A3THRB | |
| SCHEMBL11273687 | 0.77 | UTS2R (0.40) | SLC6A4SLC6A3LMNASMN1; SMN2SLC6A2 |
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-110183389-A | A kind of triazole thioketone derivative compound and preparation method | 芮城县斯普伦迪生物工程有限公司 | 2019-08-30 | — | — | CN | disclosed |