Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 14/20 | 0.34 |
| ▸ | CNR2 | P34972 | 12/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2610807 | 1.00 | CA12 (0.34) | CA12CA1CA2CA4CA9 | |
| SCHEMBL2610780 | 0.94 | CNR1 (0.36) | CNR1CNR2GPR35 | |
| SCHEMBL2610724 | 0.91 | CNR1 (0.38) | CNR1CNR2 | |
| SCHEMBL2610810 | 0.89 | NCF1 (0.34) | CA12CA1CA2CA4CA9 | |
| SCHEMBL2610798 | 0.89 | NCF1 (0.34) | CA12CA1CA2CA4CA9 | |
| SCHEMBL1742966 | 0.86 | CNR1 (0.37) | CNR1CNR2 | |
| SCHEMBL1742605 | 0.86 | CNR1 (0.37) | CNR1CNR2 | |
| SCHEMBL14454992 | 0.83 | CNR1 (0.42) | CNR1CNR2 | |
| SCHEMBL13931424 | 0.83 | CNR1 (0.35) | CNR1CNR2 | |
| SCHEMBL2610784 | 0.80 | CNR1 (0.36) | CNR1CNR2 |
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-8163736-B2 | Cytotoxic agents comprising new tomaymycin derivatives | SANOFI-AVENTIS (FR) | 2012-04-24 | — | — | US | disclosed |