Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.71 |
| ▸ | CA7 | P43166 | 3/20 | 0.71 |
| ▸ | CA9 | Q16790 | 3/20 | 0.60 |
| ▸ | CA1 | P00915 | 3/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | ATM | Q13315 | 2/20 | 0.60 |
| ▸ | CA4 | P22748 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | PLAU | P00749 | 1/20 | 0.53 |
| ▸ | HPN | P05981 | 1/20 | 0.53 |
| ▸ | GBA1 | P04062 | 1/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21808621 | 0.84 | CA2 (0.73) | CA2CA7CA9CA1CA12 | |
| SCHEMBL18328186 | 0.84 | CA2 (0.73) | CA2CA7CA9CA1CA12 | |
| SCHEMBL19035749 | 0.84 | CA2 (0.73) | CA2CA7CA9CA1CA12 | |
| SCHEMBL18321207 | 0.84 | CA2 (0.73) | CA2CA7CA9CA1CA12 | |
| SCHEMBL14421867 | 0.83 | MEN1 (0.56) | CA2CA7CA1CYP1A2CYP3A4 | |
| SCHEMBL5002083 | 0.82 | CA12 (0.61) | CA2CA7CA9CA1CA12 | |
| SCHEMBL27850983 | 0.82 | CA9 (0.61) | CA2CA7CA9CA1CA12 | |
| SCHEMBL5002086 | 0.82 | CA12 (0.61) | CA2CA7CA9CA1CA12 | |
| SCHEMBL10332270 | 0.81 | ALDH1A1 (0.67) | CA2CA7CA9CA1CA12 | |
| SCHEMBL7325853 | 0.80 | CA2 (0.67) | CA2CA7CA9CA1CA12 |
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 |