Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | CTSV | O60911 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1447254 | 0.87 | MRGPRX4 (0.44) | MRGPRX4XDHKDM4C | |
| SCHEMBL31086482 | 0.80 | MRGPRX4 (0.56) | MRGPRX4GP6KDM4C | |
| SCHEMBL1055134 | 0.80 | MRGPRX4 (0.56) | MRGPRX4GP6KDM4C | |
| SCHEMBL8848787 | 0.80 | POLB (0.47) | ABCB1POLBCTSVCTSL | |
| SCHEMBL30955240 | 0.79 | ALDH1A1 (0.67) | XDH | |
| SCHEMBL2685823 | 0.77 | CYP11B1 (0.63) | ABCB1POLBCTSVCTSL | |
| SCHEMBL25214619 | 0.76 | POLB (0.48) | ABCB1POLBXDHCTSVCTSL | |
| SCHEMBL30425063 | 0.76 | POLB (0.48) | ABCB1POLBXDHCTSVCTSL | |
| SCHEMBL7116860 | 0.76 | POLB (0.56) | ABCB1POLBCTSVCTSL | |
| SCHEMBL2685895 | 0.74 | CYP11B1 (0.49) | ABCB1POLBCTSVCTSL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101454285-B | Oxadiazole derivatives as comt inhibitors | PORTELA & CA SA | 2012-06-27 | — | — | CN | disclosed |
| CN-101454285-A | Oxadiazole derivatives as comt inhibitors | PORTELA & CA SA (PT) | 2009-06-10 | — | — | CN | disclosed |