Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Monoethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9291140 | 0.87 | MEN1 (0.41) | MEN1ESR1KMT2AAPPTAAR1 | |
| Ethylenediamine SCHEMBL16632280 | 0.85 | MEN1 (0.46) | MEN1ESR1KMT2AAPPTAAR1 | |
| SCHEMBL28929274 | 0.82 | — | — | |
| SCHEMBL27662444 | 0.82 | — | — | |
| Biphenyl SCHEMBL27262481 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TSHRTAAR1CYP3A4BACE1 | |
| Hydroxyamine SCHEMBL27030761 | 0.78 | — | — | |
| Propanol SCHEMBL7877650 | 0.78 | MEN1 (0.46) | MEN1ESR1KMT2AAPPCYP3A4 | |
| Ethylamine SCHEMBL4429466 | 0.77 | — | — | |
| Alcohol SCHEMBL4352265 | 0.77 | — | — | |
| Hydrazine SCHEMBL10481629 | 0.75 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101538218-B | Pharmaceutical composition for treating or preventing degenerative and inflammatory diseases | NEUROTECH CO LTD | 2013-05-29 | — | — | CN | disclosed |
| CN-101538218-A | Pharmaceutical composition for treating or preventing degenerative and inflammatory diseases | NEUROTECH CO LTD | 2009-09-23 | — | — | CN | disclosed |
| EP-0994875-B1 | 3-PYRIDYL-1-AZABICYCLOALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | TARGACEPT INC (US) | 2004-03-10 | — | — | EP | disclosed |
| US-6624173-B1 | Characterized by an alteration in normal neurotransmitter release, such as dopamine release (e.g., Parkinsonism, Parkinson's Disease, Tourette's Syndrome, attention deficient disorder, or schizophrenia) treated by | TARGACEPT, INC. | 2003-09-23 | — | — | US | disclosed |
| EP-1066287-B1 | AZATRICYCLIC COMPOUNDS | TARGACEPT INC (US) | 2003-09-03 | — | — | EP | disclosed |
| EP-1068208-B1 | AZATRICYCLO[3.3.1.1] DECANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | TARGACEPT INC (US) | 2003-05-14 | — | — | EP | disclosed |
| US-6525065-B1 | Central nervous system disorders; administering an endo or exo form of a 1-aza-2-(3-pyridyl)bicyclo(2.2.1)heptane, or a 1-aza-7-(3-pyridyl)bicyclo(3.2.2) nonane, or a 1-aza-2-(3-pyridyl)bicyclo(2.2.2)octane | TARGACEPT, INC. | 2003-02-25 | — | — | US | disclosed |
| US-6417359-B1 | 1-AZAADAMANTANE DERIVATIVES; NICOTINIC CHOLINERGIC RECEPTOR DRUGS; NEUROPROTECTIVE AGENTS; NERVOUS SYSTEM, PSYCHOLOGICAL, AND GLANDULAR DISORDERS; SIDE EFFECT REDUCTION | TARGACEPT, INC. | 2002-07-09 | — | — | US | disclosed |
| US-6211372-B1 | THERAPY FOR NERVOUS SYSTEM DISORDERS | CROOKS PETER ANTHONY (US) | 2001-04-03 | — | — | US | disclosed |
| EP-1068208-A1 | AZATRICYCLO[3.3.1.1] DECANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | R.J. REYNOLDS TOBACCO COMPANY (US) | 2001-01-17 | — | — | EP | disclosed |
| EP-1066287-A1 | AZATRICYCLIC COMPOUNDS | R.J. REYNOLDS TOBACCO COMPANY (US) | 2001-01-10 | — | — | EP | disclosed |
| US-6057446-A | Certain 1-aza-tricyclo [3.3.1-13,7 ] decane compounds | TARGACEPT, INC., A CORPORATION OF DELAWARE | 2000-05-02 | — | — | US | disclosed |
| EP-0994875-A1 | 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 2000-04-26 | — | — | EP | disclosed |
| US-5986100-A | 1-AZA-2-(3-PYRIDYL)-1-AZATRICYCLO(3.3.1.1 3,7)DECANE NICOTINIC CHOLINERGIC AGENTS | TARGACEPT, INC. | 1999-11-16 | — | — | US | disclosed |
| WO-1999051602-A1 | AZATRICYCLO[3.3.1.1] DECANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | R.J. REYNOLDS TOBACCO COMPANY (US) | 1999-10-14 | — | — | WO | disclosed |
| WO-1999051601-A1 | AZATRICYCLIC COMPOUNDS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1999-10-14 | — | — | WO | disclosed |
| US-5952339-A | Pharmaceutical compositions and methods of using nicotinic antagonists for treating a condition or disorder characterized by alteration in normal neurotransmitter release | TARGACEPT, INC. | 1999-09-14 | — | — | US | disclosed |
| WO-1999000385-A1 | 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1999-01-07 | — | — | WO | disclosed |