Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.43 |
| ▸ | CTSG | P08311 | 2/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.43 |
| ▸ | CMA1 | P23946 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28269131 | 0.90 | AAK1 (0.51) | AAK1MEN1KMT2ANPC1TDP1 | |
| SCHEMBL14493754 | 0.89 | AAK1 (0.54) | AAK1MEN1KMT2ANPC1CES2 | |
| SCHEMBL1883501 | 0.88 | AAK1 (0.52) | AAK1MEN1KMT2ANPC1TDP1 | |
| SCHEMBL28269146 | 0.86 | AAK1 (0.53) | AAK1MEN1KMT2ANPC1TDP1 | |
| SCHEMBL15706394 | 0.86 | AAK1 (0.70) | AAK1PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL28269214 | 0.85 | AAK1 (0.65) | AAK1MEN1KMT2ANPC1CES2 | |
| SCHEMBL8410098 | 0.84 | AAK1 (0.44) | AAK1MEN1KMT2ANPC1TDP1 | |
| SCHEMBL12572858 | 0.84 | AAK1 (0.44) | AAK1MEN1KMT2ANPC1TDP1 | |
| SCHEMBL28269144 | 0.84 | AAK1 (0.67) | AAK1MEN1KMT2ANPC1CES2 | |
| SCHEMBL7546027 | 0.83 | AAK1 (0.54) | AAK1MEN1KMT2APRSS1CTSG |
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 |