Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 4/20 | 0.38 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.37 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.37 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.37 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.37 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PLA2G7 | Q13093 | 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 | |
|---|---|---|---|---|
| SCHEMBL1415747 | 0.74 | MET (0.53) | ARABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL18348160 | 0.70 | PGR (0.44) | ARPGRABCC9ABCC8KCNJ11 | |
| SCHEMBL31734535 | 0.69 | PTP4A3 (0.38) | ARPGRABCC9ABCC8KCNJ11 | |
| SCHEMBL25004524 | 0.69 | SLC6A4 (0.38) | ARPGRABCC9ABCC8KCNJ11 | |
| SCHEMBL253758 | 0.68 | TRPV4 (0.43) | ARPGRTRPV4ABCG2CYP11B1 | |
| SCHEMBL14498539 | 0.67 | ABCC9 (0.39) | ARPGRABCC9ABCC8KCNJ11 | |
| SCHEMBL9906860 | 0.66 | MET (0.48) | ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL3712044 | 0.66 | CYP11B1 (0.51) | ARPGRABCC9ABCC8KCNJ11 | |
| SCHEMBL5109838 | 0.65 | QDPR (0.50) | PLA2G7 | |
| SCHEMBL2084565 | 0.64 | CYP11B1 (0.36) | ARPGRABCC9ABCC8KCNJ11 |
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-8198456-B2 | e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-06-12 | — | — | US | disclosed |