Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL30598789 | 0.87 | CA2 (0.38) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL1083049 | 0.87 | CA2 (0.38) | CA12CA1CA2CA9SIGMAR1 | |
| Hydrochloric Acid SCHEMBL27687817 | 0.85 | CA2 (0.37) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL2907407 | 0.85 | CA2 (0.37) | CA12CA1CA2CA9SIGMAR1 | |
| Hydrochloric Acid SCHEMBL28060532 | 0.85 | CA2 (0.37) | CA12CA1CA2CA9SIGMAR1 | |
| Water SCHEMBL23356455 | 0.85 | CA2 (0.37) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL30994809 | 0.85 | CHRNB2 (0.39) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL21385233 | 0.85 | CHRNB2 (0.39) | CA12CA1CA2CA9SIGMAR1 | |
| Propionic Acid SCHEMBL28044756 | 0.76 | FFAR3 (0.37) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL253645 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102007108-A | Inhibitors of chemokine receptor CxCR3 | SANOFI AVENTIS | 2011-04-06 | — | — | CN | disclosed |