Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 7/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 7/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2062623 | 0.87 | CA9 (0.56) | CA9MAPTGAAKDM4EPKM | |
| SCHEMBL276741 | 0.83 | MMP12 (0.51) | CA9MAPTPKMCYP11B1CYP11B2 | |
| SCHEMBL29512901 | 0.83 | MMP12 (0.51) | CA9MAPTPKMCYP11B1CYP11B2 | |
| SCHEMBL24720317 | 0.80 | CMA1 (0.45) | MAPTPKMCYP11B1CYP11B2LMNA | |
| SCHEMBL15964758 | 0.80 | MAOA (0.54) | CA9KDM4EPKMCYP11B1CYP11B2 | |
| SCHEMBL12060952 | 0.80 | MMP12 (0.53) | MAPTGAAKDM4EPKMCYP11B1 | |
| SCHEMBL3485856 | 0.80 | FABP6 (0.43) | MAPTPKM | |
| SCHEMBL15964934 | 0.76 | EPHX2 (0.46) | MAPTPKMLMNAALDH1A1HTT | |
| SCHEMBL15964652 | 0.76 | PDE3B (0.50) | MAPTKDM4EPKMCYP11B1CYP11B2 | |
| SCHEMBL1756086 | 0.75 | NPC1 (0.50) | MAPTMMP12LMNABRD4CREBBP |
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-106349233-B | 3, 4-diphenyl-4H-1, 2, 4-triazole derivative and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-06-01 | — | — | CN | disclosed |