Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.32 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | PHGDH | O43175 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8986538 | 0.72 | CA2 (0.36) | CA2CHKACA12CA1CA9 | |
| SCHEMBL22249151 | 0.71 | CA2 (0.39) | CA2CHKACA12CA1CA9 | |
| SCHEMBL29322932 | 0.66 | CA2 (0.41) | CA2CHKACA12CA1CA9 | |
| SCHEMBL18914399 | 0.66 | CHRNB2 (0.40) | CA2CHKACA12CA1CA9 | |
| SCHEMBL6037459 | 0.63 | GNAI3 (0.46) | GNAI3GNAO1GNAI1 | |
| SCHEMBL610815 | 0.62 | — | — | |
| SCHEMBL14085121 | 0.62 | KDM4E (0.36) | CA2CHKAGNAI3GNAO1GNAI1 | |
| SCHEMBL18558972 | 0.62 | L3MBTL1 (0.34) | — | |
| SCHEMBL21240931 | 0.62 | HPGD (0.38) | CA2CHKACA12CA1CA9 | |
| SCHEMBL2942429 | 0.61 | CA2 (0.46) | CA2CHKACA12CA1CA9 |
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-2008033389-A2 | MACROCYCLIC HCV INHIBITORS AND THEIR USES | NOVARTIS AG (CH) | 2008-03-20 | — | — | WO | disclosed |