Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA4 | P22748 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9329058 | 0.78 | — | — | |
| SCHEMBL8259930 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL13979185 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL1220763 | 0.77 | CA12 (0.48) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL4731008 | 0.77 | CA12 (0.48) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL23927653 | 0.77 | PTGS2 (0.34) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL7161567 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL25184217 | 0.75 | CA12 (0.50) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL8957343 | 0.75 | CA12 (0.50) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL25180667 | 0.75 | CA12 (0.50) | ALDH1A1CA12CA1CA2CA4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0474993-B1 | High-energy explosive or propellant | ROCKWELL INTERNATIONAL CORP (US) | 1994-03-16 | — | — | EP | claimed |
| EP-0474993-A1 | High-energy explosive or propellant | ROCKWELL INTERNATIONAL CORPORATION (US) | 1992-03-18 | — | — | EP | claimed |
| US-5045132-A | Oxidizer is 1,9-dinitrato-2,4,6,8-tetranitrazanonane | ROCKWELL INTERNATIONAL CORPORATION (US) | 1991-09-03 | — | — | US | claimed |
| EP-0474993-B1 | High-energy explosive or propellant | ROCKWELL INTERNATIONAL CORP (US) | 1994-03-16 | — | — | EP | disclosed |
| EP-0474993-A1 | High-energy explosive or propellant | ROCKWELL INTERNATIONAL CORPORATION (US) | 1992-03-18 | — | — | EP | disclosed |
| US-5045132-A | Oxidizer is 1,9-dinitrato-2,4,6,8-tetranitrazanonane | ROCKWELL INTERNATIONAL CORPORATION (US) | 1991-09-03 | — | — | US | disclosed |