Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.55 |
| ▸ | CA9 | Q16790 | 7/20 | 0.55 |
| ▸ | CA1 | P00915 | 7/20 | 0.55 |
| ▸ | CA12 | O43570 | 5/20 | 0.55 |
| ▸ | CA5A | P35218 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 3/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | CA6 | P23280 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.54 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.47 |
| ▸ | TDP2 | O95551 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29543451 | 0.84 | ALDH1A1 (0.48) | CA2CA9CA1CA12PTGS1 | |
| SCHEMBL5174552 | 0.84 | ALDH1A1 (0.48) | CA2CA9CA1CA12PTGS1 | |
| SCHEMBL4733933 | 0.83 | CA2 (0.61) | CA2CA9CA1CA12CA5A | |
| SCHEMBL27680510 | 0.82 | TSHR (0.47) | PTGS2CSNK2A1TDP1 | |
| SCHEMBL28022298 | 0.82 | PTGS2 (0.59) | PTGS1PTGS2LMNA | |
| SCHEMBL30434205 | 0.81 | CA2 (0.64) | CA2CA9CA1CA12CA5A | |
| SCHEMBL30269780 | 0.81 | CA2 (0.59) | CA2CA9CA1CA12CA5A | |
| SCHEMBL30301831 | 0.80 | CA12 (0.57) | CA2CA9CA1CA12CA5A | |
| SCHEMBL4802122 | 0.79 | CA2 (0.55) | CA2CA9CA1CA12CA5A | |
| SCHEMBL3906957 | 0.79 | CA2 (0.64) | CA2CA9CA1CA12CA5A |
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-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |