Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C3AR1 | Q16581 | 10/20 | 0.61 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SUCNR1 | Q9BXA5 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2247803 | 0.87 | C3AR1 (0.55) | C3AR1SUCNR1CA2CA1KMT2A | |
| SCHEMBL2245137 | 0.86 | C3AR1 (0.53) | C3AR1SLC9A1SUCNR1CA1 | |
| SCHEMBL2243871 | 0.81 | C3AR1 (0.75) | C3AR1SLC9A1SUCNR1 | |
| SCHEMBL2246508 | 0.79 | CA2 (0.60) | C3AR1CA2CA1KMT2A | |
| SCHEMBL2247341 | 0.78 | C3AR1 (0.53) | C3AR1ALDH1A1NPSR1SUCNR1CA2 | |
| SCHEMBL2248654 | 0.77 | TAS1R3 (0.53) | C3AR1ALDH1A1NPSR1CA2CA1 | |
| SCHEMBL3581142 | 0.77 | MMP2 (0.47) | C3AR1ALDH1A1CA2CA1 | |
| SCHEMBL2244829 | 0.76 | S1PR4 (0.48) | C3AR1ALDH1A1NPSR1CA2CA1 | |
| SCHEMBL23091227 | 0.76 | CYP1A2 (0.59) | C3AR1SLC9A1ALDH1A1SUCNR1KMT2A | |
| SCHEMBL26263216 | 0.75 | C3AR1 (0.67) | C3AR1SLC9A1SUCNR1 |
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-7998965-B2 | Glutamate aggrecanase inhibitors | WYETH LLC (US) | 2011-08-16 | — | — | US | disclosed |