Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK7 | P50613 | 1/20 | 0.38 |
| ▸ | CCNH | P51946 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1498293 | 0.85 | CA1 (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498359 | 0.83 | LMNA (0.44) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498299 | 0.81 | CA1 (0.42) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498275 | 0.81 | CA1 (0.45) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL27896526 | 0.80 | CA1 (0.48) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL12688737 | 0.79 | POLB (0.54) | NPSR1LMNAGAA | |
| SCHEMBL12542148 | 0.79 | PSMB8 (0.41) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498416 | 0.79 | CA1 (0.47) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL12832426 | 0.79 | CA1 (0.45) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL12692924 | 0.78 | CA1 (0.47) | CA1CA2MMP1MMP2MMP9 |
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-102762534-A | Aryl sulfone derivatives as calcium channel blockers | ZALICUS PHARMACEUTICALS LTD | 2012-10-31 | — | — | CN | disclosed |