Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.61 |
| ▸ | CA9 | Q16790 | 3/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA3 | P07451 | 1/20 | 0.61 |
| ▸ | CA6 | P23280 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | MMP3 | P08254 | 1/20 | 0.55 |
| ▸ | P4HB | P07237 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL576036 | 0.83 | LMNA (0.52) | CA2CA9CA12CA3CA14 | |
| Benzonitrile SCHEMBL27664681 | 0.82 | TSHR (0.56) | KIF11PTPN5TRPV4HDAC1HDAC7 | |
| Trifluoromethanesulfonic Acid SCHEMBL2826879 | 0.80 | PTPN5 (0.53) | CA2CA9CA12MMP3KIF11 | |
| Isonicotinonitrile SCHEMBL669363 | 0.79 | SLC22A12 (0.48) | CA2CA9CA12CYP19A1KIF11 | |
| 4-Cyanophenol SCHEMBL28811803 | 0.78 | CA2 (1.00) | CA2CA9CA12CA3CA6 | |
| 4-Cyanophenol SCHEMBL50814 | 0.78 | — | — | |
| 4-Cyanophenol SCHEMBL27294505 | 0.78 | CA2 (1.00) | CA2CA9CA12CA3CA6 | |
| Trifluoromethanesulfonic Acid SCHEMBL1713466 | 0.77 | KIF11 (0.54) | CA2CA9CA12MMP3KIF11 | |
| 4-Cyanophenol SCHEMBL27652227 | 0.77 | CA2 (0.84) | CA2CA9CA12CA3CA6 | |
| 4-Cyanophenol SCHEMBL4820911 | 0.77 | CA2 (0.84) | CA2CA9CA12CA3CA6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110903316-B | Phosphonate compound and preparation method and application thereof | 中南大学 | 2021-03-02 | — | — | CN | claimed |
| CN-110903316-A | Phosphonate compound and preparation method and application thereof | 中南大学 | 2020-03-24 | — | — | CN | claimed |
| CN-110903316-B | Phosphonate compound and preparation method and application thereof | 中南大学 | 2021-03-02 | — | — | CN | disclosed |
| CN-110903316-A | Phosphonate compound and preparation method and application thereof | 中南大学 | 2020-03-24 | — | — | CN | disclosed |