Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | GBA1 | P04062 | 1/20 | 0.68 |
| ▸ | CA2 | P00918 | 6/20 | 0.66 |
| ▸ | CA9 | Q16790 | 5/20 | 0.66 |
| ▸ | CA12 | O43570 | 3/20 | 0.66 |
| ▸ | CA1 | P00915 | 5/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8199866 | 1.00 | ALDH1A1 (1.00) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL8202657 | 1.00 | ALDH1A1 (1.00) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL10907021 | 0.85 | ALDH1A1 (0.73) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL28676264 | 0.84 | ALDH1A1 (0.73) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL7862567 | 0.84 | GBA1 (0.74) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL11775274 | 0.83 | ALDH1A1 (0.71) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL29543465 | 0.82 | GBA1 (0.72) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL12169286 | 0.82 | CA2 (0.75) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL8201579 | 0.81 | CA2 (0.69) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL6323468 | 0.81 | GBA1 (0.70) | ALDH1A1TSHRGBA1CA2CA9 |
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 13 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-0365412-B1 | Cyclic nitrogen-containing ligands, their metal complexes, diagnostic compositions containing these complexes and method of preparing the ligands | GUERBET SA (FR) | 1995-05-17 | — | — | EP | 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-0287465-B1 | CYCLIC LIGANDS CONTAINING NITROGEN, METAL COMPLEXES FORMED BY THESE LIGANDS, DIAGNOSTIC COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION | GUERBET S.A. (FR) | 1993-01-27 | — | — | EP | 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 |
| US-5049667-A | Nitrogen-containing cyclic ligands | GUERBET S.A. (FR) | 1991-09-17 | — | — | US | disclosed |
| EP-0365412-A1 | Cyclic nitrogen-containing ligands, their metal complexes, diagnostic compositions containing these complexes and method of preparing the ligands | GUERBET S.A. (FR) | 1990-04-25 | — | — | EP | disclosed |
| EP-0287465-A1 | Cyclic ligands containing nitrogen, metal complexes formed by these ligands, diagnostic compositions containing them and process for their preparation | GUERBET S.A. (FR) | 1988-10-19 | — | — | EP | disclosed |