Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.39 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.38 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | MC3R | P41968 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28980532 | 0.85 | ITGA4 (0.41) | ITGA4ITGB7CTSSCTSKOPRK1 | |
| SCHEMBL11047397 | 0.84 | SLC7A5 (0.48) | ITGA4ITGB7CTSSCTSKSLC7A5 | |
| SCHEMBL17137969 | 0.83 | ITGA4 (0.50) | CA12CA7CA9CA14ITGA4 | |
| SCHEMBL13163803 | 0.83 | ITGA4 (0.50) | CA12CA7CA9CA14ITGA4 | |
| SCHEMBL7609380 | 0.83 | ITGA4 (0.50) | CA12CA7CA9CA14ITGA4 | |
| SCHEMBL2724608 | 0.83 | ITGA4 (0.36) | ITGA4ITGB7CTSKOPRK1SLC7A5 | |
| SCHEMBL1937057 | 0.78 | ABCB1 (0.46) | ITGA4ITGB7KLK5CTRB1LTA4H | |
| SCHEMBL7269530 | 0.78 | SLC7A5 (0.45) | SLC7A5LTA4HALPIPKMPTGS1 | |
| SCHEMBL14763045 | 0.76 | SLC7A5 (0.49) | ITGA4ITGB7CTSSCTSKSLC7A5 | |
| SCHEMBL28942525 | 0.76 | SLC7A5 (0.43) | ITGA4ITGB7CTSSCTSKSLC7A5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376408-A2 | FLUORINATION OF ORGANIC COMPOUNDS | President and Fellows of Harvard College (US) | 2011-10-19 | — | — | EP | claimed |
| WO-2010059943-A2 | FLUORINATION OF ORGANIC COMPOUNDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-05-27 | — | — | WO | claimed |
| EP-2376408-A2 | FLUORINATION OF ORGANIC COMPOUNDS | President and Fellows of Harvard College (US) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010059943-A2 | FLUORINATION OF ORGANIC COMPOUNDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-05-27 | — | — | WO | disclosed |