Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | HPGDS | O60760 | 4/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.46 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL718780 | 0.84 | ACE (0.51) | ACECA1CA12CA9PTPN2 | |
| SCHEMBL468899 | 0.83 | ACE (0.55) | ACECA1CA12CA9PTPN2 | |
| SCHEMBL6518708 | 0.83 | ACE (0.55) | ACECA1CA12CA9PTPN2 | |
| SCHEMBL5594950 | 0.82 | PTPN2 (0.52) | ACECA1CA12CA9PTPN2 | |
| SCHEMBL4386989 | 0.82 | PTPN2 (0.52) | ACECA1CA12CA9PTPN2 | |
| SCHEMBL6757142 | 0.82 | PTPN2 (0.52) | ACECA1CA12CA9PTPN2 | |
| SCHEMBL30503481 | 0.81 | PTPN2 (0.49) | ACECA1CA12CA9PTPN2 | |
| Hydrochloric Acid SCHEMBL12469709 | 0.81 | PTPN2 (0.51) | ACECA1CA12CA9PTPN2 | |
| SCHEMBL15044546 | 0.81 | ACE (0.63) | ACECA1CA12CA9PTPN2 | |
| SCHEMBL12894465 | 0.80 | ACE (0.52) | ACECA1CA12CA9SLC7A5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5693309-A | Substituted complexing agents, complexes, and complex salts, processes for their production, and pharmaceuticals containing same | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-12-02 | — | — | US | disclosed |
| US-5681543-A | Polymer-bonded complexing agents and pharmaceutical agents containing them for MRI | SHERING AKTIENGESELLSCHAFT (DE) | 1997-10-28 | — | — | US | disclosed |
| US-5681544-A | Polymer-bonded complexing agents, their complexes and conjugates, processes for their production and pharmaceutical agents containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-10-28 | — | — | US | disclosed |
| US-5482700-A | Substituted polyamino, polycarboxy complexing agent dimers for MRI and X-ray contrast | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-01-09 | — | — | US | disclosed |