Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | MMP1 | P03956 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | MMP8 | P22894 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.52 |
| ▸ | IL1RN | P18510 | 1/20 | 0.52 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2372026 | 0.78 | NAPRT (0.52) | KEAP1ALDH1A1MEN1KMT2A | |
| SCHEMBL92828 | 0.78 | CA1 (0.56) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL603121 | 0.76 | MMP2 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL4911080 | 0.76 | MMP2 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL2372569 | 0.76 | CA2 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL2371757 | 0.76 | CA1 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL3246018 | 0.76 | CA2 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL2442534 | 0.76 | CA1 (0.48) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL56650 | 0.75 | CA1 (0.58) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL28369244 | 0.74 | MMP2 (0.52) | CA1CA2MMP1MMP2MMP9 |
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-109678810-A | 1, 2-oxygen nitrogen heterocyclic butane compound and preparation method and application thereof | 南京工业大学 | 2019-04-26 | — | — | CN | disclosed |