Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | NAAA | Q02083 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2142266 | 1.00 | CA12 (0.56) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL10458758 | 0.78 | — | — | |
| SCHEMBL2701871 | 0.78 | CA1 (0.48) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL6178235 | 0.78 | CA1 (0.48) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL11188555 | 0.78 | CA1 (0.61) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL27393927 | 0.77 | EPHX1 (0.50) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL7061877 | 0.77 | CA12 (0.48) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL7735300 | 0.76 | CA1 (0.58) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL31095853 | 0.75 | HRH1 (0.33) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL2702116 | 0.75 | — | — |
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-110483338-A | A kind of synthetic method of big ring class inhibitor intermediate cycloheptyl alkyl sulfonyl chloride | SUZHOU HANDE CHUANGHONG BIOCHEMISTRY TECH CO LTD | 2019-11-22 | — | — | CN | disclosed |