Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | LPL | P06858 | 3/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 6/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL212497 | 1.00 | CA2 (0.38) | CA2LPLLIPGENPP2CA1 | |
| Water SCHEMBL1961682 | 0.98 | CA2 (0.37) | CA2LPLLIPGENPP2CA1 | |
| SCHEMBL22211511 | 0.86 | — | — | |
| SCHEMBL31276726 | 0.79 | LPL (0.41) | CA2LPLLIPGCA1CXCR1 | |
| SCHEMBL850656 | 0.79 | LPL (0.41) | CA2LPLLIPGCA1CXCR1 | |
| SCHEMBL29956576 | 0.79 | NPC1 (0.38) | CA2LPLLIPGENPP2CA1 | |
| SCHEMBL29161282 | 0.75 | MGLL (0.39) | CA2LPLLIPGENPP2CA1 | |
| SCHEMBL1269058 | 0.74 | CXCR2 (0.36) | CA2LPLLIPGCA1TSHR | |
| SCHEMBL29955625 | 0.74 | CA2 (0.48) | CA2LPLLIPG | |
| SCHEMBL19144049 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4027993-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | The Broad Institute Inc. (US) | 2022-07-20 | — | — | EP | disclosed |