Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 10/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 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 | |
|---|---|---|---|---|
| SCHEMBL3025702 | 0.77 | HDAC1 (0.31) | HDAC1HDAC6 | |
| SCHEMBL18398358 | 0.72 | HTT (0.41) | MAPT | |
| SCHEMBL1394520 | 0.71 | CA1 (0.50) | CA1CA2CA9ADRB2MAPT | |
| SCHEMBL1639935 | 0.70 | CA1 (0.54) | CA1CA2CA9ADRB2MAPT | |
| SCHEMBL78688 | 0.70 | CA1 (0.54) | CA1CA2CA9ADRB2MAPT | |
| SCHEMBL387740 | 0.70 | KDM1A (0.37) | MAPTGAA | |
| SCHEMBL29504578 | 0.70 | KDM1A (0.37) | MAPTGAA | |
| SCHEMBL15566427 | 0.70 | IDO1 (0.36) | MAPTGAANPSR1 | |
| SCHEMBL20079466 | 0.69 | CES2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL7131081 | 0.69 | CA1 (0.52) | CA1CA2CA9ADRB2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3097083-B1 | BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2018-08-08 | — | — | EP | disclosed |