Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 11/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.61 |
| ▸ | SLC2A9 | Q9NRM0 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL249022 | 0.89 | SLC22A12 (0.78) | SLC22A12CYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL250383 | 0.89 | SLC22A12 (0.60) | SLC22A12CYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL12516448 | 0.89 | SLC22A12 (0.60) | SLC22A12CYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL10176748 | 0.89 | SLC22A12 (0.77) | SLC22A12CYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL28145752 | 0.88 | SLC22A12 (0.62) | SLC22A12CYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL13445215 | 0.88 | SLC22A12 (0.64) | SLC22A12CYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL11915751 | 0.85 | SLC22A12 (0.71) | SLC22A12CYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL28666416 | 0.82 | SLC22A12 (0.59) | SLC22A12CYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL30487683 | 0.82 | SLC22A12 (0.51) | SLC22A12CYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL15555009 | 0.82 | SLC22A12 (0.51) | SLC22A12CYP2C19CYP2D6CYP2C9CYP1A2 |
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-109970668-B | Method for preparing 3-thio-1, 2, 4-triazole compound | 普济生物科技（台州）有限公司 | 2021-12-07 | — | — | CN | disclosed |