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 | 1.00 |
| ▸ | ADRA2B known ✓ | P18089 | 5/20 | 1.00 |
| ▸ | ADRA2C known ✓ | P18825 | 5/20 | 1.00 |
| ▸ | ADRA1D known ✓ | P25100 | 4/20 | 1.00 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 1.00 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 1.00 |
| ▸ | ADRA1B known ✓ | P35368 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 9/20 | 1.00 |
| ▸ | DRD2 | P14416 | 6/20 | 1.00 |
| ▸ | HTR2A | P28223 | 6/20 | 1.00 |
| ▸ | HTR2C | P28335 | 6/20 | 1.00 |
| ▸ | HTR6 | P50406 | 6/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 5/20 | 1.00 |
| ▸ | DRD3 | P35462 | 5/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 4/20 | 1.00 |
| ▸ | DRD1 | P21728 | 4/20 | 1.00 |
| ▸ | HTR2B | P41595 | 4/20 | 1.00 |
| ▸ | HTR1A | P08908 | 4/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 3/20 | 1.00 |
| ▸ | HTR1B | P28222 | 3/20 | 1.00 |
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 SCHEMBL783018 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL29420131 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL22171508 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL18134607 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL1483 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL783017 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL29567350 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL11086376 | 0.99 | CYP3A4 (0.99) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL28990226 | 0.99 | CYP3A4 (0.99) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL22231343 | 0.99 | CYP3A4 (0.99) | 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 148 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4620936-A1 | PROCESS FOR THE PREPARATION OF N6-ISOTOPE-LABELED ERGOT ALKALOIDS, IN PARTICULAR LYSERGIC ACID AMIDES AND ERGOPEPTINES | Bundesrepublik Deutschland, vertreten durch den Bundesminister für Wirtschaft und Klimaschutz, dieser vertreten durch den Präsidenten der (DE) | 2025-09-24 | — | — | EP | claimed |
| EP-4220161-A1 | A BUFFER SYSTEM FOR PARTICLE-BASED MULTIPLEXED IMMUNOASSAYS | Bundesrepublik Deutschland, vertreten durch den Bundesminister für Wirtschaft und Energie (DE) | 2023-08-02 | — | — | EP | claimed |
| EP-1881853-B1 | ALL-OVER COATING OF VESSEL STENTS | HEMOTEQ AG (DE) | 2016-09-28 | — | — | EP | claimed |
| US-20150031719-A1 | Topical Therapy for the Treatment of Migraines, Muscle Sprains, Muscle Spasms, Spasticity and Related Conditions | AFGIN PHARMA LLC | 2015-01-29 | — | — | US | claimed |
| US-8916227-B2 | Coating of the entire surface of endoprostheses | HEMOTEQ AG (DE) | 2014-12-23 | — | — | US | claimed |
| US-8883830-B2 | Topical therapy for the treatment of migraines, muscle sprains, muscle spasms, spasticity and related conditions | Afgin Pharma LLC. (US) | 2014-11-11 | — | — | US | claimed |
| US-20120114741-A1 | TOPICAL THERAPY FOR THE TREATMENT OF MIGRANES, MUSCLE SPRAINS, MUSCLE SPASMS, SPASTICITY AND RELATED CONDITIONS | AFGIN PHARMA LLC (US) | 2012-05-10 | — | — | US | claimed |
| US-20080199506-A1 | Lattice or mesh-like structure; covering with thin film over interstices and supports with multilayer polymer | HEMOTEQ AG (DE) | 2008-08-21 | — | — | US | claimed |
| US-7229784-B2 | Modulation of secondary metabolite production by zinc binuclear cluster proteins | MICROBIA, INC. (US) | 2007-06-12 | — | — | US | claimed |
| US-20070065463-A1 | Topical therapy for the treatment of migranes, muscle sprains, muscle spasms, spasticity and related conditions | AFGIN PHARMA LLC | 2007-03-22 | — | — | US | claimed |
| EP-1644004-A2 | TROPICAL THERAPY FOR THE TREATMENT OF MIGRAINES, MUSCLE SPRAINS, MUSCLE SPASM, SPASTICITY AND RELATED CONDITIONS | Aung-din, Ronald (US) | 2006-04-12 | — | — | EP | claimed |
| WO-2004112723-A2 | TROPICAL THERAPY FOR THE TREATMENT OF MIGRAINES, MUSCLE SPRAINS, MUSCLE SPASM, SPASTICITY AND RELATED CONDITIONS | AUNG-DIN RONALD (US) | 2004-12-29 | — | — | WO | claimed |
| US-20040077039-A1 | Modulation of secondary metabolite production by zinc binuclear... | DSM IP ASSETS B.V. (NL) | 2004-04-22 | — | — | US | claimed |
| EP-1409530-A2 | MODULATION OF SECONDARY METABOLITE PRODUCTION BY ZINC BINUCLEAR CLUSTER PROTEINS | Microbia, Inc. (US) | 2004-04-21 | — | — | EP | claimed |
| WO-2002024865-A2 | MODULATION OF SECONDARY METABOLITE PRODUCTION BY ZINC BINUCLEAR CLUSTER PROTEINS | MICROBIA, INC. (US) | 2002-03-28 | — | — | WO | claimed |
| US-5573776-A | Oral osmotic device with hydrogel driving member | ALZA CORPORATION (US) | 1996-11-12 | — | — | US | claimed |
| US-5468486-A | Vaccine containing a protein alkaloid conjugate for the treatment of fescue toxicosis | THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) | 1995-11-21 | — | — | US | claimed |
| US-4440772-A | Acid addition salts of dextrorotatory ergot alkaloids, a process for the preparation thereof as well as their use as medicines | LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) | 1984-04-03 | — | — | US | claimed |
| EP-4620936-A1 | PROCESS FOR THE PREPARATION OF N6-ISOTOPE-LABELED ERGOT ALKALOIDS, IN PARTICULAR LYSERGIC ACID AMIDES AND ERGOPEPTINES | Bundesrepublik Deutschland, vertreten durch den Bundesminister für Wirtschaft und Klimaschutz, dieser vertreten durch den Präsidenten der (DE) | 2025-09-24 | — | — | EP | disclosed |
| US-4440772-A | Acid addition salts of dextrorotatory ergot alkaloids, a process for the preparation thereof as well as their use as medicines | LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) | 1984-04-03 | — | — | US | disclosed |