Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 16/20 | 0.51 |
| ▸ | CA9 | Q16790 | 13/20 | 0.51 |
| ▸ | CA1 | P00915 | 12/20 | 0.51 |
| ▸ | CA12 | O43570 | 11/20 | 0.51 |
| ▸ | CA7 | P43166 | 8/20 | 0.51 |
| ▸ | CA5A | P35218 | 6/20 | 0.51 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.42 |
| ▸ | CA6 | P23280 | 5/20 | 0.42 |
| ▸ | CA4 | P22748 | 5/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | AGO2 | Q9UKV8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20032091 | 0.75 | CA2 (0.55) | CA2CA9CA1CA12CA7 | |
| SCHEMBL11869672 | 0.73 | ALDH1A1 (0.47) | CA2CA9CA1CA12CA7 | |
| SCHEMBL19284769 | 0.73 | CYP2C19 (0.47) | CA2CA9CA1CA12CA7 | |
| SCHEMBL19285424 | 0.73 | CYP2C19 (0.47) | CA2CA9CA1CA12CA7 | |
| SCHEMBL19284767 | 0.73 | CYP2C19 (0.47) | CA2CA9CA1CA12CA7 | |
| SCHEMBL4256417 | 0.72 | CA2 (0.50) | CA2CA9CA1CA12CA7 | |
| SCHEMBL898460 | 0.72 | ALDH1A1 (0.46) | CA2CA9CA1CA12CA7 | |
| SCHEMBL4621382 | 0.72 | CA2 (0.47) | CA2CA9CA1CA12CA7 | |
| SCHEMBL2170246 | 0.71 | CYP2C19 (0.41) | — | |
| SCHEMBL4605045 | 0.71 | CA2 (0.57) | CA2CA9CA1CA12CA7 |
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-108659048-A | Nitrogenous coordination ruthenium carbone catalyst and preparation method and application | 天津大学 | 2018-10-16 | — | — | CN | disclosed |