Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.34 |
| ▸ | USP36 | Q9P275 | 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28229618 | 0.92 | LMNA (0.42) | CYP19A1HCAR2LMNAKMT2AALDH1A1 | |
| SCHEMBL876019 | 0.92 | CYP19A1 (0.43) | CYP19A1HCAR2ALDH1A1L3MBTL1HTT | |
| Hydrochloric Acid SCHEMBL27566786 | 0.90 | CYP19A1 (0.42) | CYP19A1HCAR2ALDH1A1L3MBTL1HTT | |
| Cyanide SCHEMBL27815567 | 0.86 | CYP19A1 (0.43) | CYP19A1HCAR2ALDH1A1L3MBTL1HTT | |
| Acetic Acid SCHEMBL28557709 | 0.83 | HCAR2 (0.47) | CYP19A1HCAR2LMNAKMT2AALDH1A1 | |
| Acrylic Acid SCHEMBL7825002 | 0.83 | HCAR2 (0.43) | CYP19A1HCAR2LMNAALDH1A1TAS2R14 | |
| Acetamide SCHEMBL28112655 | 0.82 | ALDH1A1 (0.47) | HCAR2LMNAKMT2AALDH1A1HTT | |
| Acetonitrile SCHEMBL27979099 | 0.81 | CYP11B1 (0.42) | CYP19A1LMNAALDH1A1L3MBTL1HTT | |
| Alcohol SCHEMBL28895679 | 0.81 | DDR1 (0.41) | CYP19A1HCAR2ALDH1A1L3MBTL1HTT | |
| Propionic Acid SCHEMBL28134495 | 0.79 | AGBL2 (0.45) | HCAR2KMT2AALDH1A1L3MBTL1HTT |
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-116874441-A | Flexible aryl formamide derivative containing 1,2, 4-oxadiazole as well as preparation method and application thereof | 贵州大学 | 2023-10-13 | — | — | CN | disclosed |