Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 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 | |
|---|---|---|---|---|
| SCHEMBL10053186 | 0.79 | CA1 (0.46) | CA1CA2CA12CA9ORAI1 | |
| SCHEMBL500934 | 0.78 | CA1 (0.56) | CA1CA2CA12CA9ORAI1 | |
| Benzoxaborin SCHEMBL257591 | 0.69 | CA1 (1.00) | CA1CA2CA12CA9ORAI1 | |
| SCHEMBL595037 | 0.69 | CA1 (0.46) | CA1CA2CA12CA9ORAI1 | |
| SCHEMBL10053284 | 0.69 | CA1 (0.46) | CA1CA2CA12CA9ORAI1 | |
| SCHEMBL500365 | 0.67 | CA1 (0.45) | CA1CA2CA12CA9 | |
| SCHEMBL500341 | 0.61 | CA1 (0.43) | CA1CA2CA12CA9 | |
| SCHEMBL500335 | 0.61 | CA1 (0.47) | CA1CA2CA12CA9ORAI1 | |
| SCHEMBL10053164 | 0.59 | CA1 (0.50) | CA1CA2CA12CA9ORAI1 | |
| SCHEMBL13635655 | 0.59 | PARP1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2044091-A2 | COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE | Anacor Pharmaceuticals, Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007146965-A2 | COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE | ANACOR PHARMACEUTICALS, INC. (US) | 2007-12-21 | — | — | WO | disclosed |