Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CHTR1D
The experimentally established mechanism targets of Ergotamine. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 5/20 | 0.93 |
| ▸ | ADRA2B known ✓ | P18089 | 5/20 | 0.93 |
| ▸ | ADRA2C known ✓ | P18825 | 5/20 | 0.93 |
| ▸ | ADRA1D known ✓ | P25100 | 4/20 | 0.93 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.93 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.93 |
| ▸ | ADRA1B known ✓ | P35368 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.93 |
| ▸ | DRD2 | P14416 | 6/20 | 0.93 |
| ▸ | HTR2A | P28223 | 6/20 | 0.93 |
| ▸ | HTR2C | P28335 | 6/20 | 0.93 |
| ▸ | HTR6 | P50406 | 6/20 | 0.93 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.93 |
| ▸ | DRD3 | P35462 | 5/20 | 0.93 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.93 |
| ▸ | DRD1 | P21728 | 4/20 | 0.93 |
| ▸ | HTR2B | P41595 | 4/20 | 0.93 |
| ▸ | HTR1A | P08908 | 4/20 | 0.93 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.93 |
| ▸ | HTR1B | P28222 | 3/20 | 0.93 |
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 | |
|---|---|---|---|---|
| Ergotamine SCHEMBL8046 | 1.00 | CYP3A4 (0.93) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL29358869 | 1.00 | CYP3A4 (0.93) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL8045 | 1.00 | CYP3A4 (0.93) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL29420131 | 0.97 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL22171508 | 0.97 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL29567350 | 0.97 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL783017 | 0.97 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL783018 | 0.97 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL1483 | 0.97 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL18134607 | 0.97 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12031977-B2 | Ex vivo system for determining multiple drug-drug transporter interactions and methods of use thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2024-07-09 | — | — | US | disclosed |
| CN-118209655-A | Method for detecting ergot alkaloid in food | 安徽省疾病预防控制中心(省健康教育所、省公共卫生研究院) | 2024-06-18 | — | — | CN | disclosed |
| US-20230390243-A1 | Compositions and Uses Thereof | PURPOSEFUL IKE (GR) | 2023-12-07 | — | — | US | disclosed |
| EP-4208161-A1 | COMPOSITIONS AND USES THEREOF | Purposeful, Ike (GR) | 2023-07-12 | — | — | EP | disclosed |
| EP-4203956-A1 | COMPOSITIONS AND USES THEREOF | Purposeful, Ike (GR) | 2023-07-05 | — | — | EP | disclosed |
| EP-4203948-A1 | COMPOSITIONS AND USES THEREOF | Purposeful, Ike (GR) | 2023-07-05 | — | — | EP | disclosed |
| WO-2022079302-A1 | COMPOSITIONS AND USES THEREOF | PURPOSEFUL IKE (GR) | 2022-04-21 | — | — | WO | disclosed |
| WO-2022079307-A1 | COMPOSITIONS AND USES THEREOF | PURPOSEFUL IKE (GR) | 2022-04-21 | — | — | WO | disclosed |
| WO-2022079304-A1 | COMPOSITIONS AND USES THEREOF | PURPOSEFUL IKE (GR) | 2022-04-21 | — | — | WO | disclosed |
| US-11291670-B2 | Therapeutic approaches for treating Alzheimer disease and related disorders through a modulation of angiogenesis | PHARNEXT (FR) | 2022-04-05 | — | — | US | disclosed |
| WO-2012112933-A1 | DIRECTED DIFFERENTIATION OF OLIGODENDROCYTE PRECURSOR CELLS TO A MYELINATING CELL FATE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2012-08-23 | — | — | WO | disclosed |
| US-20120071483-A1 | THERAPEUTIC APPROACHES FOR TREATING ALZHEIMER DISEASE AND RELATED DISORDERS THROUGH A MODULATION OF CELL STRESS RESPONSE | PHARNEXT (FR) | 2012-03-22 | — | — | US | disclosed |
| US-20120058992-A1 | THERAPEUTIC APPROACHES FOR TREATING ALZHEIMER DISEASE AND RELATED DISORDERS THROUGH A MODULATION OF ANGIOGENESIS | PHARNEXT (FR) | 2012-03-08 | — | — | US | disclosed |
| US-20110269764-A1 | THERAPEUTIC APPROACHES FOR TREATING ALZHEIMER DISEASE AND RELATED DISORDERS THROUGH A MODULATION OF SYNAPSE FUNCTION | PHARNEXT (FR) | 2011-11-03 | — | — | US | disclosed |
| CN-102065858-A | Combination compositions for treating alzheimer's disease and related conditions using zonisamide and acamprosate | PHARNEXT | 2011-05-18 | — | — | CN | disclosed |
| CN-102065898-A | Novel therapeutic approaches for treating alzheimer's disease and related disorders by modulating angiogenesis | PHARNEXT | 2011-05-18 | — | — | CN | disclosed |
| CN-102065897-A | New therapeutic approaches for treating alzheimer disease and related disorders through a modulation of cell stress response | PHARNEXT | 2011-05-18 | — | — | CN | disclosed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| EP-2021502-A1 | NOVEL GENES AND MARKERS IN TYPE 2 DIABETES AND OBESITY | Oy Jurilab Ltd (FI) | 2009-02-11 | — | — | EP | disclosed |
| WO-2007128884-A1 | NOVEL GENES AND MARKERS IN TYPE 2 DIABETES AND OBESITY | OY JURILAB LTD (FI) | 2007-11-15 | — | — | WO | disclosed |