Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 11/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PHGDH | O43175 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3107792 | 0.95 | CXCR4 (0.52) | CXCR4SMN1; SMN2MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL8505167 | 0.95 | CXCR4 (0.47) | CXCR4SMN1; SMN2MEN1CHRM2CHRM1 | |
| Piperazine SCHEMBL7550059 | 0.92 | CXCR4 (0.48) | CXCR4SMN1; SMN2MEN1CHRM2CHRM1 | |
| Methylpiperazine SCHEMBL28185042 | 0.91 | CXCR4 (0.41) | CXCR4SMN1; SMN2TDP1ALDH1A1PHGDH | |
| Methylpiperazine SCHEMBL3658609 | 0.91 | HIF1A (0.43) | CXCR4SMN1; SMN2ALDH1A1PHGDHHIF1A | |
| SCHEMBL3111675 | 0.91 | HIF1A (0.43) | CXCR4SMN1; SMN2ALDH1A1PHGDHHIF1A | |
| SCHEMBL8200625 | 0.91 | HIF1A (0.43) | CXCR4SMN1; SMN2ALDH1A1PHGDHHIF1A | |
| SCHEMBL1702308 | 0.91 | HIF1A (0.43) | CXCR4SMN1; SMN2ALDH1A1PHGDHHIF1A | |
| SCHEMBL18106209 | 0.88 | CXCR4 (0.53) | CXCR4SMN1; SMN2MEN1CHRM2CHRM1 | |
| SCHEMBL272114 | 0.88 | — | — |
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 |