Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.38 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1769599 | 0.91 | CA12 (0.44) | CA12CA14CA7CA9CA2 | |
| SCHEMBL1769603 | 0.91 | CA12 (0.44) | CA12CA14CA7CA9CA2 | |
| SCHEMBL13584711 | 0.81 | GSR (0.44) | CA12CA14CA7CA9CA2 | |
| SCHEMBL1769560 | 0.81 | GSR (0.44) | CA12CA14CA7CA9CA2 | |
| SCHEMBL1769336 | 0.79 | CA12 (0.37) | CA12CA14CA7CA9CA2 | |
| SCHEMBL13585152 | 0.79 | CA12 (0.37) | CA12CA14CA7CA9CA2 | |
| SCHEMBL1769669 | 0.78 | DDAH1 (0.42) | CA12CA14CA7CA9DDAH1 | |
| SCHEMBL1769672 | 0.78 | DDAH1 (0.42) | CA12CA14CA7CA9DDAH1 | |
| SCHEMBL1769680 | 0.77 | PTGS1 (0.39) | CA12CA14CA7CA9GFPT1 | |
| SCHEMBL1769684 | 0.77 | PTGS1 (0.39) | CA12CA14CA7CA9GFPT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011060832-A1 | TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY | POLYPHOR AG (CH) | 2011-05-26 | — | — | WO | disclosed |