Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL177619 | 0.95 | CA1 (0.50) | CA1CA2CA7CA13F2 | |
| SCHEMBL12495949 | 0.95 | CA1 (0.50) | CA1CA2CA7CA13F2 | |
| SCHEMBL7983812 | 0.91 | CA1 (0.47) | CA1CA2CA7CA13F2 | |
| SCHEMBL7987901 | 0.91 | CA1 (0.47) | CA1CA2CA7CA13F2 | |
| SCHEMBL7973416 | 0.91 | CA1 (0.47) | CA1CA2CA7CA13F2 | |
| SCHEMBL7983952 | 0.91 | CA1 (0.47) | CA1CA2CA7CA13F2 | |
| Hydrochloric Acid SCHEMBL11246047 | 0.91 | CA1 (0.47) | CA1CA2CA7CA13F2 | |
| SCHEMBL1888847 | 0.91 | CA1 (0.47) | CA1CA2CA7CA13F2 | |
| SCHEMBL9559501 | 0.91 | CA1 (0.47) | CA1CA2CA7CA13F2 | |
| SCHEMBL7984982 | 0.91 | CA1 (0.47) | CA1CA2CA7CA13F2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6297372-B1 | NITRATION OF THE N-ACYL DERIVATIVES | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2001-10-02 | — | — | US | disclosed |
| EP-0919556-A1 | PROCESS FOR THE PREPARATION OF HEXANITROHEXAAZAISOWURTZITANES | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1999-06-02 | — | — | EP | disclosed |