Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.61 |
| ▸ | CA2 | P00918 | 11/20 | 0.61 |
| ▸ | CA9 | Q16790 | 8/20 | 0.61 |
| ▸ | CA12 | O43570 | 6/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.61 |
| ▸ | CA7 | P43166 | 4/20 | 0.61 |
| ▸ | CA5A | P35218 | 4/20 | 0.61 |
| ▸ | CA3 | P07451 | 3/20 | 0.61 |
| ▸ | CA4 | P22748 | 3/20 | 0.61 |
| ▸ | CA6 | P23280 | 3/20 | 0.61 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.61 |
| ▸ | F2 | P00734 | 3/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29488753 | 0.83 | CA2 (0.59) | CA1CA2CA9CA12CA14 | |
| SCHEMBL997443 | 0.83 | CA2 (0.59) | CA1CA2CA9CA12CA14 | |
| SCHEMBL9180970 | 0.82 | ALDH1A1 (0.40) | CA1CA2CA9CA12CA14 | |
| SCHEMBL1964478 | 0.79 | CA2 (0.55) | CA1CA2CA9CA12CA14 | |
| SCHEMBL29392071 | 0.79 | CA2 (0.55) | CA1CA2CA9CA12CA14 | |
| SCHEMBL468315 | 0.79 | CA1 (0.55) | CA1CA2CA9CA12CA14 | |
| SCHEMBL1759354 | 0.79 | CA2 (0.55) | CA1CA2CA9CA12CA14 | |
| SCHEMBL29657456 | 0.79 | CA2 (0.55) | CA1CA2CA9CA12CA14 | |
| SCHEMBL29965676 | 0.79 | CA2 (0.55) | CA1CA2CA9CA12CA14 | |
| SCHEMBL30185020 | 0.79 | CA1 (0.55) | CA1CA2CA9CA12CA14 |
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-107406484-A | The method of acylated cyclic peptide | 中化帝斯曼制药有限公司荷兰公司 | 2017-11-28 | — | — | CN | disclosed |