Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.69 |
| ▸ | CA1 | P00915 | 5/20 | 0.69 |
| ▸ | CA9 | Q16790 | 4/20 | 0.69 |
| ▸ | CA4 | P22748 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | GBA1 | P04062 | 1/20 | 0.60 |
| ▸ | CA7 | P43166 | 3/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10332270 | 0.84 | ALDH1A1 (0.67) | CA2CA1CA9CA4ALDH1A1 | |
| SCHEMBL9485564 | 0.83 | ALDH1A1 (0.65) | CA2CA1CA9CA4ALDH1A1 | |
| SCHEMBL7862567 | 0.82 | GBA1 (0.74) | CA2CA1CA9ALDH1A1TSHR | |
| SCHEMBL8202657 | 0.81 | ALDH1A1 (1.00) | CA2CA1CA9CA4ALDH1A1 | |
| SCHEMBL8199866 | 0.81 | ALDH1A1 (1.00) | CA2CA1CA9CA4ALDH1A1 | |
| SCHEMBL8192042 | 0.81 | ALDH1A1 (1.00) | CA2CA1CA9CA4ALDH1A1 | |
| SCHEMBL28676264 | 0.79 | ALDH1A1 (0.73) | CA2CA1CA9CA4ALDH1A1 | |
| SCHEMBL21538642 | 0.79 | CA2 (0.68) | CA2CA1CA9CA4ALDH1A1 | |
| SCHEMBL8200261 | 0.78 | CA2 (0.71) | CA2CA1CA9CA4ALDH1A1 | |
| SCHEMBL10954787 | 0.78 | CA2 (0.64) | CA2CA1CA9CA4ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6084093-A | SUBSTITUTED 1,4,7,10,13-PENTAAZACYCLOPENTADECANE MACROCYCLIC LIGANDS; MANGANESE COMPLEXES OF THE LIGAND ARE MIMICS OF SUPEROXIDE DISMUTASE; USEFUL AS THERAPEUTIC AGENTS FOR INFLAMMATORY DISEASES | G. D. SEARLE & CO. (US) | 2000-07-04 | — | — | US | disclosed |
| US-5874421-A | Manganese complexes of nitrogen-containing macrocyclic ligands effective as catalysts for dismutating superoxide | G. D. SEARLE & CO. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0598753-B1 | MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO CO (US) | 1998-03-18 | — | — | EP | disclosed |
| US-5637578-A | AGENTS FOR INFLAMMATION, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHEROSCLEROSIS, AND HYPERTENSION | MONSANTO COMPANY | 1997-06-10 | — | — | US | disclosed |
| US-5610293-A | TREATMENT OF INFLAMMATORY DISEASES, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHERSCLEROSIS, HYPERTENSION | MONSANTO COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0598753-A1 | MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO COMPANY (US) | 1994-06-01 | — | — | EP | disclosed |
| WO-1993002090-A1 | MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO COMPANY (US) | 1993-02-04 | — | — | WO | disclosed |
| EP-0524161-A1 | Manganese complexes of nitrogen containing macrocyclic ligands effective as catalysts for dismutating superoxide | MONSANTO COMPANY (US) | 1993-01-20 | — | — | EP | disclosed |