Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.62 |
| ▸ | CA4 | P22748 | 7/20 | 0.62 |
| ▸ | CA9 | Q16790 | 7/20 | 0.62 |
| ▸ | CA1 | P00915 | 5/20 | 0.62 |
| ▸ | CA2 | P00918 | 5/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.57 |
| ▸ | TTR | P02766 | 3/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.57 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.57 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.57 |
| ▸ | ALB | P02768 | 1/20 | 0.57 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.57 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.57 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.57 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL10310895 | 0.88 | CA12 (0.62) | CA12CA4CA9CA1CA2 | |
| SCHEMBL13911574 | 0.87 | PTGS2 (0.64) | CA12CA4CA9CA1CA2 | |
| SCHEMBL25948151 | 0.83 | PTGS2 (0.63) | CA12CA4CA9CA1CA2 | |
| SCHEMBL13299169 | 0.83 | PTGS2 (0.66) | CA12CA4CA9CA1CA2 | |
| SCHEMBL14605848 | 0.82 | TTR (0.67) | CA12CA4CA9CA1CA2 | |
| SCHEMBL13653128 | 0.82 | PTGS2 (0.54) | CA12CA4CA9CA1CA2 | |
| SCHEMBL15340508 | 0.80 | CA12 (0.64) | CA12CA4CA9CA1CA2 | |
| SCHEMBL13318494 | 0.79 | P2RX7 (0.51) | CA12CA4CA9CA1CA2 | |
| SCHEMBL12651566 | 0.79 | CA12 (0.65) | CA12CA4CA9CA1CA2 | |
| SCHEMBL10797057 | 0.79 | CA12 (0.65) | CA12CA4CA9CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9566341-B1 | Compounds including Cox inhibitor moiety and enhanced delivery of active drugs using same | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2017-02-14 | — | — | US | disclosed |