Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.31 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.31 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.31 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL469852 | 0.76 | ALDH1A1 (0.52) | MAOAMAOBCA1CA2CA7 | |
| SCHEMBL7557350 | 0.72 | LMNA (0.44) | MAOAMAOBPYCR1ALDH1A1IDO1 | |
| SCHEMBL315215 | 0.71 | — | — | |
| SCHEMBL576260 | 0.69 | MEN1 (0.48) | CA1CA2CA7CA9ACHE | |
| SCHEMBL223757 | 0.69 | FBP1 (0.52) | MAOAMAOBCA1CA2CA7 | |
| Ethyne SCHEMBL27932680 | 0.67 | CA1 (0.53) | CA1CA2CA7CA9ACHE | |
| SCHEMBL15199481 | 0.67 | — | — | |
| SCHEMBL6597844 | 0.67 | — | — | |
| SCHEMBL13499 | 0.67 | — | — | |
| SCHEMBL7567051 | 0.65 | ACACB (0.45) | MAOAMAOBALDH1A1MAPK1PTGS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110724110-B | Preparation method and application of 4-heteroatom-3, 4,5 substituted isoxazole compound | 香港科技大学深圳研究院 | 2022-04-26 | — | — | CN | disclosed |
| CN-110724110-A | Preparation method and application of 3,4,5 (4-heteroatom) fully-substituted isoxazole compound | 香港科技大学深圳研究院 | 2020-01-24 | — | — | CN | disclosed |